3-amino-3-methoxybutanamide

C5H12N2O2 — CID 91277688

IUPAC3-amino-3-methoxybutanamide
SMILESCOC(C)(N)CC(N)=O
InChIInChI=1S/C5H12N2O2/c1-5(7,9-2)3-4(6)8/h3,7H2,1-2H3,(H2,6,8)
InChIKeyXJZMECUGLXTUOD-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.82
Rot. Bonds3

About 3-amino-3-methoxybutanamide

3-amino-3-methoxybutanamide (PubChem CID 91277688) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-amino-3-methoxybutanamide.

Molecular Properties

Compound Name3-amino-3-methoxybutanamide
PubChem CID91277688
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-amino-3-methoxybutanamide
SMILESCOC(C)(N)CC(N)=O
InChIInChI=1S/C5H12N2O2/c1-5(7,9-2)3-4(6)8/h3,7H2,1-2H3,(H2,6,8)
InChIKeyXJZMECUGLXTUOD-UHFFFAOYSA-N
XLogP-0.82
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3,3-dichlorobutanamide
CID 57160976
2-methoxybutan-2-amine
CID 21116415
N,3-dimethoxy-3-methylbutanamide
CID 103021007
3,3-dimethylbutanamide;2-methanidyl-2-methylpropane;yttrium
CID 154649078
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
3-amino-3,4-dimethylhexanamide
CID 165482291
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
3-hydroxy-2-methoxy-2-methylpropanamide
CID 122538297
3,3,11,11-tetramethyltridecanediamide
CID 91353745

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methoxybutanamide?
The IUPAC name of 3-amino-3-methoxybutanamide (CID 91277688) is 3-amino-3-methoxybutanamide.
What is the SMILES notation for 3-amino-3-methoxybutanamide?
The canonical SMILES for 3-amino-3-methoxybutanamide is COC(C)(N)CC(N)=O.
What is the InChIKey of 3-amino-3-methoxybutanamide?
The InChIKey is XJZMECUGLXTUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-5(7,9-2)3-4(6)8/h3,7H2,1-2H3,(H2,6,8).
What are the key properties of 3-amino-3-methoxybutanamide?
3-amino-3-methoxybutanamide has a molecular weight of 132.16 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methoxybutanamide is sourced from PubChem (CID 91277688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).