[2-(methylamino)-3-oxobutyl]azanide

C5H11N2O- — CID 54347753

IUPAC[2-(methylamino)-3-oxobutyl]azanide
SMILESCNC(C[NH-])C(C)=O
InChIInChI=1S/C5H11N2O/c1-4(8)5(3-6)7-2/h5-7H,3H2,1-2H3/q-1
InChIKeyUDMUJELHIWLMNU-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.22
Rot. Bonds3

About [2-(methylamino)-3-oxobutyl]azanide

[2-(methylamino)-3-oxobutyl]azanide (PubChem CID 54347753) has the molecular formula C5H11N2O- and a molecular weight of 115.16 g/mol. Its IUPAC name is [2-(methylamino)-3-oxobutyl]azanide.

Molecular Properties

Compound Name[2-(methylamino)-3-oxobutyl]azanide
PubChem CID54347753
Molecular FormulaC5H11N2O-
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name[2-(methylamino)-3-oxobutyl]azanide
SMILESCNC(C[NH-])C(C)=O
InChIInChI=1S/C5H11N2O/c1-4(8)5(3-6)7-2/h5-7H,3H2,1-2H3/q-1
InChIKeyUDMUJELHIWLMNU-UHFFFAOYSA-N
XLogP0.22
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(methylamino)-3-oxobutyl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
3-(methylamino)hexan-2-one
CID 90877104
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906
CID 166448994
CID 166448994
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
5,5-dihydroxy-3-(methylamino)pentan-2-one;ethene
CID 161480959
3-(methylamino)heptane-2,5-dione
CID 121263911
(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
CID 167006096
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
ethane;2-(methylamino)-3-oxobutane-1-sulfonic acid
CID 176694911
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-3-oxobutyl]azanide?
The IUPAC name of [2-(methylamino)-3-oxobutyl]azanide (CID 54347753) is [2-(methylamino)-3-oxobutyl]azanide.
What is the SMILES notation for [2-(methylamino)-3-oxobutyl]azanide?
The canonical SMILES for [2-(methylamino)-3-oxobutyl]azanide is CNC(C[NH-])C(C)=O.
What is the InChIKey of [2-(methylamino)-3-oxobutyl]azanide?
The InChIKey is UDMUJELHIWLMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O/c1-4(8)5(3-6)7-2/h5-7H,3H2,1-2H3/q-1.
What are the key properties of [2-(methylamino)-3-oxobutyl]azanide?
[2-(methylamino)-3-oxobutyl]azanide has a molecular weight of 115.16 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-3-oxobutyl]azanide is sourced from PubChem (CID 54347753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).