CAS 572924-00-6 (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid (HCID 23595129)

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Basic information

CAS: 572924-00-6
Standard SMILES: CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)O
InChIKey: VKOXJCPQUQBCAJ-SECBINFHSA-N
Molecular formula: C12H21NO4
Average molar mass: 243.3 g/mol
Monoisotopic mass: 243.14705815

Names & identifiers

Preferred name: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
IUPAC: (2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
English name: (S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid
Molecular formula: C12H21NO4
Molecular weight: 243.3

Names & synonyms

572924-00-6(S)-2-Cyclopentyloxycarbonylamino-3,3-dimethyl-butyric acid(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acidL-Valine, N-[(cyclopentyloxy)carbonyl]-3-methyl-SCHEMBL1536518DTXSID10635120VKOXJCPQUQBCAJ-SECBINFHSA-NAKOS025402448AC-9258N-[(Cyclopentyloxy)carbonyl]-3-methyl-L-valine(S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid

Show more names

N-[(Cyclopentyloxy)carbonyl]-3-methylvalineN-[(cyclopentyloxy)carbonyl]-L-tert-leucineL-Valine, N-[(cyclopentyloxy)carbonyl]-3-Methyl

(S)-2-(((Cyclopentyloxy)carbonyl)amino)-3,3-dimethylbutanoicacid(2S)-2-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-3,3-DIMETHYLBUTANOIC ACID

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 289

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H312-H332-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H312-H332-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501