N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide

C7H15NO3 — CID 157037781

IUPACN-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
SMILESCOCC[C@@H](CO)NC(C)=O
InChIInChI=1S/C7H15NO3/c1-6(10)8-7(5-9)3-4-11-2/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1
InChIKeyMPIDOXMZVIORFL-ZETCQYMHSA-N
MW161.20 g/mol
LogP-0.48
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide

N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide (PubChem CID 157037781) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
PubChem CID157037781
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
SMILESCOCC[C@@H](CO)NC(C)=O
InChIInChI=1S/C7H15NO3/c1-6(10)8-7(5-9)3-4-11-2/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1
InChIKeyMPIDOXMZVIORFL-ZETCQYMHSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
(3S)-3-(acetamidomethyl)-N-(1-hydroxy-4-methoxybutan-2-yl)-5-methylhexanamide
CID 138044918
4-acetamido-5-hydroxypentanamide
CID 123414269
cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114210287
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
2-amino-N-(1-hydroxy-4-methoxybutan-2-yl)-2-phenylacetamide
CID 114210648
2,5-dichloro-N-(1-hydroxy-4-methoxybutan-2-yl)benzamide
CID 114211333
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 114211535
N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114211336
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide (CID 157037781) is N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide is COCC[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide?
The InChIKey is MPIDOXMZVIORFL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(10)8-7(5-9)3-4-11-2/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide?
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide has a molecular weight of 161.20 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide is sourced from PubChem (CID 157037781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).