2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid

C11H17NO4 — CID 24699400

IUPAC2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CC=CCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-3,7-9,13H,4-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFWDQPUXPJXMQRA-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.29
Rot. Bonds4

About 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid

2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid (PubChem CID 24699400) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
PubChem CID24699400
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CC=CCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-3,7-9,13H,4-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFWDQPUXPJXMQRA-UHFFFAOYSA-N
XLogP0.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24705199
2-(cyclohex-3-ene-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467873
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
(2S)-1-[(1S)-cyclohex-3-en-1-yl]-2-hydroxy-3-methylbutan-1-one
CID 134993534
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
CID 104965247
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
N-heptan-2-ylcyclohex-3-ene-1-carboxamide
CID 134055913
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
N-hex-5-yn-3-ylcyclohex-3-ene-1-carboxamide
CID 115647412
(2S,3R)-3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 104964524
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
(2S,3S)-3-hydroxy-2-[(3-sulfocyclopentanecarbonyl)amino]butanoic acid
CID 140895558

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid (CID 24699400) is 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid is CC(O)C(NC(=O)C1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid?
The InChIKey is FWDQPUXPJXMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h2-3,7-9,13H,4-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid?
2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-ene-1-carbonylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 24699400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).