4-oxo-4-(prop-2-enylamino)butanoic acid

C7H11NO3 — CID 5157666

IUPAC4-oxo-4-(prop-2-enylamino)butanoic acid
SMILESC=CCNC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyQYCXCWGQGVYSCP-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds5

About 4-oxo-4-(prop-2-enylamino)butanoic acid

4-oxo-4-(prop-2-enylamino)butanoic acid (PubChem CID 5157666) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-oxo-4-(prop-2-enylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(prop-2-enylamino)butanoic acid
PubChem CID5157666
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-oxo-4-(prop-2-enylamino)butanoic acid
SMILESC=CCNC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyQYCXCWGQGVYSCP-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-prop-2-enylbutanamide
CID 55286226
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
N-prop-2-enyloctanamide
CID 4071942
2-phosphanyl-N-prop-2-enylacetamide
CID 88653876
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
prop-2-enylcarbamic acid;hydrate
CID 173458484
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
molybdenum;hexakis(N-prop-2-enylcarbamothioate)
CID 173070392
4-methyl-6-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]hexanoic acid
CID 65289786
2-hydrazinyl-N-prop-2-enylacetamide
CID 83694224
4-(diaminomethylideneamino)-N-prop-2-enylbutanamide;hydrochloride
CID 44522987

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(prop-2-enylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(prop-2-enylamino)butanoic acid (CID 5157666) is 4-oxo-4-(prop-2-enylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(prop-2-enylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(prop-2-enylamino)butanoic acid is C=CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(prop-2-enylamino)butanoic acid?
The InChIKey is QYCXCWGQGVYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11).
What are the key properties of 4-oxo-4-(prop-2-enylamino)butanoic acid?
4-oxo-4-(prop-2-enylamino)butanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(prop-2-enylamino)butanoic acid is sourced from PubChem (CID 5157666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).