3-(methylamino)butanamide

C5H12N2O — CID 54855511

IUPAC3-(methylamino)butanamide
SMILESCNC(C)CC(N)=O
InChIInChI=1S/C5H12N2O/c1-4(7-2)3-5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
InChIKeyZCCUVFCTQSVYRF-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.53
Rot. Bonds3

About 3-(methylamino)butanamide

3-(methylamino)butanamide (PubChem CID 54855511) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(methylamino)butanamide.

Molecular Properties

Compound Name3-(methylamino)butanamide
PubChem CID54855511
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name3-(methylamino)butanamide
SMILESCNC(C)CC(N)=O
InChIInChI=1S/C5H12N2O/c1-4(7-2)3-5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
InChIKeyZCCUVFCTQSVYRF-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)butanamide?
The IUPAC name of 3-(methylamino)butanamide (CID 54855511) is 3-(methylamino)butanamide.
What is the SMILES notation for 3-(methylamino)butanamide?
The canonical SMILES for 3-(methylamino)butanamide is CNC(C)CC(N)=O.
What is the InChIKey of 3-(methylamino)butanamide?
The InChIKey is ZCCUVFCTQSVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(7-2)3-5(6)8/h4,7H,3H2,1-2H3,(H2,6,8).
What are the key properties of 3-(methylamino)butanamide?
3-(methylamino)butanamide has a molecular weight of 116.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)butanamide is sourced from PubChem (CID 54855511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).