N-[(2S)-1-oxobutan-2-yl]acetamide

C6H11NO2 — CID 55299338

IUPACN-[(2S)-1-oxobutan-2-yl]acetamide
SMILESCC[C@@H](C=O)NC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-6(4-8)7-5(2)9/h4,6H,3H2,1-2H3,(H,7,9)/t6-/m0/s1
InChIKeyLZMPYUQNXUCREP-LURJTMIESA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds3

About N-[(2S)-1-oxobutan-2-yl]acetamide

N-[(2S)-1-oxobutan-2-yl]acetamide (PubChem CID 55299338) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(2S)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-oxobutan-2-yl]acetamide
PubChem CID55299338
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-[(2S)-1-oxobutan-2-yl]acetamide
SMILESCC[C@@H](C=O)NC(C)=O
InChIInChI=1S/C6H11NO2/c1-3-6(4-8)7-5(2)9/h4,6H,3H2,1-2H3,(H,7,9)/t6-/m0/s1
InChIKeyLZMPYUQNXUCREP-LURJTMIESA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
CID 123756071
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
N-[1-(ethylamino)-2-oxoethyl]acetamide
CID 173197035
ethane;fluoromethane;methyl N-[(2S)-1-oxobutan-2-yl]carbamate
CID 144903743
methanol;molecular hydrogen;N-[(2S)-1-oxopent-4-en-2-yl]acetamide
CID 143137102
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
CID 18642221
N-(3,3-dimethyl-1-oxopentan-2-yl)acetamide
CID 142109674
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
CID 21464846
N-(1-oxobutan-2-yl)methanesulfonamide
CID 22083952
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
(2S)-2-(methylamino)-4-oxopentanal
CID 59947269

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-oxobutan-2-yl]acetamide (CID 55299338) is N-[(2S)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-oxobutan-2-yl]acetamide is CC[C@@H](C=O)NC(C)=O.
What is the InChIKey of N-[(2S)-1-oxobutan-2-yl]acetamide?
The InChIKey is LZMPYUQNXUCREP-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(4-8)7-5(2)9/h4,6H,3H2,1-2H3,(H,7,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-oxobutan-2-yl]acetamide?
N-[(2S)-1-oxobutan-2-yl]acetamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 55299338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).