Basic information
- CAS
144332-60-5- Standard SMILES
CN(C(=O)OCc1ccccc1)C(C)(C)C(=O)O- InChIKey
QCDSXBNEBTVGTP-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- Z-N-Me-Aib-OH
- IUPAC
- 2-methyl-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid
- English name
- N-Carbobenzyloxy-n,2-dimethylalanine
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.28
Names & synonyms
144332-60-5Z-N-Me-Aib-OHN-CARBOBENZYLOXY-N,2-DIMETHYLALANINEMFCD001918982-methyl-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid2-{[(benzyloxy)carbonyl](methyl)amino}-2-methylpropanoic acidCbz-N-Me-Aib-OHAlanine, N,2-dimethyl-N-[(phenylmethoxy)carbonyl]-2-(((Benzyloxy)carbonyl)(methyl)amino)-2-methylpropanoic acidZ-N-methyl-a-aminoisobutyric acidSCHEMBL1285759Z-N-Me-Aib-OH, 98%
Show more names
Z-NZ-N-Me-Aib-OHZ-N,2-DIMETHYLALANINEZ-N-methyl-α-methylalanineN,2-Dimethyl-N-Cbz-DL-alanineZ-N-METHYL-ALPHA-METHYLALANINEZ-N-methyl-α-aminoisobutyric acid
DTXSID70352947QCDSXBNEBTVGTP-UHFFFAOYSA-NAKOS009156776AT16599AS-68641CS-0272360N-[(Benzyloxy)carbonyl]-N,2-dimethylalanineST51006956
Database identifiers
- CAS
144332-60-5- PubChem CID
- 736175
- DTXSID
DTXSID70352947
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 135 · 135-138 °C (lit.)
- Boiling point
- 394.8 · 394.8±31.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
- form
- powder
- BRN
- 3347632 · 3347632
- Major Application
- peptide synthesis
- InChI
- 1S/C13H17NO4/c1-13(2,11(15)16)14(3)12(17)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)
- InChIKey
- QCDSXBNEBTVGTP-UHFFFAOYSA-N
- SMILES
- CN(C(=O)OCc1ccccc1)C(C)(C)C(O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers31 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
ChemPep, Inc.+1 (888) 615-9178 / (561) 791-8787 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
深圳市茵诺圣生物科技有限公司0755-28351685 18503098468 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海研纷生化科技有限公司13611955358 15002190549 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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