N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide

C7H14N2O2 — CID 142343906

IUPACN-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
SMILESCN[C@@H](CNC(C)=O)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-5(10)7(8-3)4-9-6(2)11/h7-8H,4H2,1-3H3,(H,9,11)/t7-/m0/s1
InChIKeyUMCMVWDYKPXDDT-ZETCQYMHSA-N
MW158.20 g/mol
LogP-0.70
Rot. Bonds4

About N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide

N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide (PubChem CID 142343906) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
PubChem CID142343906
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
SMILESCN[C@@H](CNC(C)=O)C(C)=O
InChIInChI=1S/C7H14N2O2/c1-5(10)7(8-3)4-9-6(2)11/h7-8H,4H2,1-3H3,(H,9,11)/t7-/m0/s1
InChIKeyUMCMVWDYKPXDDT-ZETCQYMHSA-N
XLogP-0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
CID 101104048
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
[2-(methylamino)-3-oxobutyl]azanide
CID 54347753
5,5-dihydroxy-3-(methylamino)pentan-2-one;ethene
CID 161480959
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
ethane;N-(2-methylpropyl)acetamide
CID 142232237
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
3-(methylamino)hexan-2-one
CID 90877104
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
CID 166448994
CID 166448994
3-(methylamino)heptane-2,5-dione
CID 121263911

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide?
The IUPAC name of N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide (CID 142343906) is N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide?
The canonical SMILES for N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide is CN[C@@H](CNC(C)=O)C(C)=O.
What is the InChIKey of N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide?
The InChIKey is UMCMVWDYKPXDDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(10)7(8-3)4-9-6(2)11/h7-8H,4H2,1-3H3,(H,9,11)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide?
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide has a molecular weight of 158.20 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide is sourced from PubChem (CID 142343906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).