3-acetamidopropanamide

C5H10N2O2 — CID 21238874

IUPAC3-acetamidopropanamide
SMILESCC(=O)NCCC(N)=O
InChIInChI=1S/C5H10N2O2/c1-4(8)7-3-2-5(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8)
InChIKeyBHPBDSRHYYCQQO-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.00
Rot. Bonds3

About 3-acetamidopropanamide

3-acetamidopropanamide (PubChem CID 21238874) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-acetamidopropanamide.

Molecular Properties

Compound Name3-acetamidopropanamide
PubChem CID21238874
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-acetamidopropanamide
SMILESCC(=O)NCCC(N)=O
InChIInChI=1S/C5H10N2O2/c1-4(8)7-3-2-5(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8)
InChIKeyBHPBDSRHYYCQQO-UHFFFAOYSA-N
XLogP-1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropanamide?
The IUPAC name of 3-acetamidopropanamide (CID 21238874) is 3-acetamidopropanamide.
What is the SMILES notation for 3-acetamidopropanamide?
The canonical SMILES for 3-acetamidopropanamide is CC(=O)NCCC(N)=O.
What is the InChIKey of 3-acetamidopropanamide?
The InChIKey is BHPBDSRHYYCQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-4(8)7-3-2-5(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8).
What are the key properties of 3-acetamidopropanamide?
3-acetamidopropanamide has a molecular weight of 130.15 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropanamide is sourced from PubChem (CID 21238874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).