4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid

C9H16N2O4 — CID 107841105

IUPAC4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESC=CC(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-6(2)11-9(15)10-5-4-7(12)8(13)14/h3,6-7,12H,1,4-5H2,2H3,(H,13,14)(H2,10,11,15)
InChIKeyHGXMSIJUNBWFPL-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.30
Rot. Bonds6

About 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid

4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid (PubChem CID 107841105) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
PubChem CID107841105
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
SMILESC=CC(C)NC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-3-6(2)11-9(15)10-5-4-7(12)8(13)14/h3,6-7,12H,1,4-5H2,2H3,(H,13,14)(H2,10,11,15)
InChIKeyHGXMSIJUNBWFPL-UHFFFAOYSA-N
XLogP-0.30
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-2-hydroxy-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 114007399
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107838991
(2S)-4-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007752
(2S)-2-hydroxy-4-(4-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 107840286
(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
(2S)-4-(2-chloroprop-2-enylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841019
4-(2,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107840202
2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 107839418
3-(but-3-en-2-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110511
4-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoylamino]-2-hydroxybutanoic acid
CID 107839083

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid (CID 107841105) is 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid is C=CC(C)NC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
The InChIKey is HGXMSIJUNBWFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-6(2)11-9(15)10-5-4-7(12)8(13)14/h3,6-7,12H,1,4-5H2,2H3,(H,13,14)(H2,10,11,15).
What are the key properties of 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid?
4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107841105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).