4-(Acetylamino)-2-hydroxy-2-methylbutyl acetate

HCID 536136

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Basic information

CAS: 64018-48-0
Standard SMILES: CC(=O)NCCC(C)(O)COC(C)=O
InChIKey: MDVPTEBRCVOUJB-UHFFFAOYSA-N
Molecular formula: C9H17NO4
Average molar mass: 203.24 g/mol
Monoisotopic mass: 203.11575802

Names & identifiers

Preferred name: 4-(Acetylamino)-2-hydroxy-2-methylbutyl acetate
IUPAC: (4-acetamido-2-hydroxy-2-methylbutyl) acetate
English name: N-[(R)-4-(Acetyloxy)-3-hydroxy-3-methylbutyl]acetamide
Molecular formula: C9H17NO4
Molecular weight: 203.24

Names & synonyms

4-(Acetylamino)-2-hydroxy-2-methylbutyl acetateDTXSID9033676464018-48-0RefChem:288422DTXCID802878524-Acetamido-2-hydroxy-2-methylbutyl acetateN-[(R)-4-(Acetyloxy)-3-hydroxy-3-methylbutyl]acetamideAcetamide, N-[4-(acetyloxy)-3-hydroxy-3-methylbutyl]-, (R)- (9CI)

Database identifiers

CAS: 64018-48-0
PubChem CID: 536136
DTXSID: DTXSID90336764

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 217

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