Hexanoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (4R)-
Basic information
- CAS
197006-14-7- Standard SMILES
CC(C)C(C[C@@H](N)C(=O)O)C(=O)OC(C)(C)C- InChIKey
ASMHKAHTRGLGKZ-YGPZHTELSA-N- Molecular formula
- C12H23NO4
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16270821
Names & identifiers
- Preferred name
- Hexanoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (4R)-
- IUPAC
- (2R)-2-amino-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
- English name
- 4-Boc-(R)-amino-5-methyl hexanoic acid
- Molecular formula
- C12H23NO4
- Molecular weight
- 245.32
Names & synonyms
Hexanoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (4R)-DTXSID50724946AKOS030241176(2R)-2-amino-4-tert-butoxycarbonyl-5-methyl-hexanoic acid(2R)-2-Amino-4-(tert-butoxycarbonyl)-5-methylhexanoic acid(2R)-2-amino-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid(2R)-2-Amino-4-(tert-butoxycarbonyl)-5-methylhexanoic acid (non-preferred name)BOC-GAMMAVALBoc-γ4(R)Val-OHBOC-GAMMA-VAL-OHBOC-VAL-[C*(CH2)2]OHN-T-BUTOXYCARBONYL-GAMMA-L-VALINE
Show more names
(R)-BOC-4-AMINO-5-METHYL-HEXANOIC ACID4-Boc-(R)-amino-5-methyl hexanoic acid(R)-4-(Boc-amino)-5-methylhexanoic acid4-T-BUTOXYCARBONYL-(R)-AMINO-5-METHYL HEPTANOIC ACID(R)-4-[(t-Butoxycarbonyl)amino]-5-methylhexanoic acid
Database identifiers
- CAS
197006-14-7- PubChem CID
- 57375481
- DTXSID
DTXSID50724946
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 383.3 · 383.3±25.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.10(Predicted)
- HS Code
- 29225090 · 29225090
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
- hs_code
- 29225090
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Related reactions
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Compound notes
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