4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
Basic information
- CAS
183673-71-4- Standard SMILES
CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)CC1- InChIKey
YNHLVALLAURVJF-UHFFFAOYSA-N- Molecular formula
- C11H20N2O4
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.14230712
Names & identifiers
- Preferred name
- 4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid
- IUPAC
- 4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
- English name
- 4-Amino-1-Boc-piperidine-4-carboxylic acid
- Molecular formula
- C11H20N2O4
- Molecular weight
- 244.29
Names & synonyms
183673-71-44-amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acidDTXSID90351230RefChem:289719DTXCID803022961-Boc-4-aminopiperidine-4-carboxylic Acid4-Amino-1-Boc-piperidine-4-carboxylic acid4-amino-1-boc-isonipecotic acid4-amino-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acidMFCD013187284-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acidBS-9753
Show more names
1-BOC-PIP-OHL-Pip(Boc)-OHH-PIP(BOC)-OHCAS:183673-71-44,4-ACP(1-N-BOC)BOC-PIC(4)(4-NH2)-OH4-Amino-1-Boc-piperidine-4-carboxylic4-BOC-AMino-4-piperidine carboxylic acid
IDI1_011390EN300-184105SR-01000003312A1-01785SR-01000003312-11,4-PIPERIDINEDICARBOXYLIC ACID, 4-AMINO-, 1-(1,1-DIMETHYLETHYL) ESTERMENTHYLSALICYLATEMaybridge3_000003
Database identifiers
- CAS
183673-71-4- PubChem CID
- 693797
- DTXSID
DTXSID90351230- UNII
- YV49JCT89B
- EC Number
- 675-662-2
- Nikkaji
- J775.700J
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 290 °C · 290°C
- Boiling point
- 387.21 °C · 387.21°C (rough estimate)
- Density
- 1.1583 · 1.1583 (rough estimate)
- refractive index
- 1.462 · 1.4620 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Methanol
- pka
- 2.15 · 2.15±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 7588844 · 7588844
- InChI
- InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7,12H2,1-3H3,(H,14,15)
- InChIKey
- YNHLVALLAURVJF-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(N)(C(O)=O)CC1
- CAS DataBase Reference
- 183673 · 183673-71-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H360-H340-H351
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Applications
UsesAn a,a-Disubstituted Amino Acid for preparation of water-soluble highly helical peptides
UsesAn α,α-Disubstituted amino acid for preparation of water-soluble highly helical peptides.
UsesCyclic α,α-disubstituted amino acid for the preparation of water-soluble highly helical peptides.
Related reactions
7 records
Compound notes
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