(2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
Basic information
- CAS
951789-86-9- Standard SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C1(C)CCCCC1- InChIKey
PLAQGKKUVFMRFR-SNVBAGLBSA-N- Molecular formula
- C14H25NO4
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.17835828
Names & identifiers
- Preferred name
- (2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
- IUPAC
- (2S)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- English name
- Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (αS)-
- Molecular formula
- C14H25NO4
- Molecular weight
- 271.36
Names & synonyms
951789-86-9(2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid(S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acidMFCD29076044SCHEMBL583877PLAQGKKUVFMRFR-SNVBAGLBSA-N(S)-Boc-2-cHex(1-Me)-Gly-OHPS-16502SY343915E88251F830594(2S)-2-(Boc-amino)-2-(1-methylcyclohexyl)acetic Acid
Show more names
(S)-a-(Boc-amino)-1-methylcyclohexaneacetic acid(2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid - [B88053]Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-, (αS)-
(S)-2-(Boc-amino)-2-(1-methylcyclohexyl)acetic Acid(S)-tert-Butoxycarbonylamino-(1-methyl-cyclohexyl)-acetic acid(2S)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Database identifiers
- CAS
951789-86-9- PubChem CID
- 57785383
- Nikkaji
- J2.491.003B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 408.2 · 408.2±28.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.10(Predicted)
Related reactions
10 records
Compound notes
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