3-oxo-3-(prop-1-en-2-ylamino)propanoic acid

C6H9NO3 — CID 88991960

IUPAC3-oxo-3-(prop-1-en-2-ylamino)propanoic acid
SMILESC=C(C)NC(=O)CC(=O)O
InChIInChI=1S/C6H9NO3/c1-4(2)7-5(8)3-6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)
InChIKeyFCROWSNIUAYORD-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.11
Rot. Bonds3

About 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid

3-oxo-3-(prop-1-en-2-ylamino)propanoic acid (PubChem CID 88991960) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(prop-1-en-2-ylamino)propanoic acid
PubChem CID88991960
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-oxo-3-(prop-1-en-2-ylamino)propanoic acid
SMILESC=C(C)NC(=O)CC(=O)O
InChIInChI=1S/C6H9NO3/c1-4(2)7-5(8)3-6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)
InChIKeyFCROWSNIUAYORD-UHFFFAOYSA-N
XLogP0.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid?
The IUPAC name of 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid (CID 88991960) is 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid.
What is the SMILES notation for 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid?
The canonical SMILES for 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid is C=C(C)NC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid?
The InChIKey is FCROWSNIUAYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(2)7-5(8)3-6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10).
What are the key properties of 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid?
3-oxo-3-(prop-1-en-2-ylamino)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(prop-1-en-2-ylamino)propanoic acid is sourced from PubChem (CID 88991960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).