2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid

C14H13NO5 — CID 60792014

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)N1C(=O)C2CC2C1=O
InChIInChI=1S/C14H13NO5/c16-8-3-1-7(2-4-8)5-11(14(19)20)15-12(17)9-6-10(9)13(15)18/h1-4,9-11,16H,5-6H2,(H,19,20)
InChIKeyJRAYJAOWOJSEHN-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.39
Rot. Bonds4

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 60792014) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID60792014
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)N1C(=O)C2CC2C1=O
InChIInChI=1S/C14H13NO5/c16-8-3-1-7(2-4-8)5-11(14(19)20)15-12(17)9-6-10(9)13(15)18/h1-4,9-11,16H,5-6H2,(H,19,20)
InChIKeyJRAYJAOWOJSEHN-UHFFFAOYSA-N
XLogP0.39
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic 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

(2S)-2-[(1R,2R,6R,7R,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-3-phenylpropanoic acid
CID 99941949
(2R)-2-[(1S,2R,6S,7S,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanoic acid
CID 98066064
(2R)-2-[(1S,2S,6R,7R,8R,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-3-phenylpropanoic acid
CID 92905136
(2S)-2-[(3aR,4R,7aS)-4,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3-phenylpropanoic acid
CID 932993
2-(2,7-dioxoazepan-1-yl)-3-phenylpropanoic acid
CID 43446699
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
(2R)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-3-phenylpropanoic acid
CID 40734881
3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114010352
(2S)-3-(4-hydroxyphenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692841
(2S)-2-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoic acid
CID 168666168
(2R)-3-(4-hydroxyphenyl)-2-[(3R)-3-[(4-hydroxyphenyl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]propanoic acid
CID 10814217
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid (CID 60792014) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1)N1C(=O)C2CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is JRAYJAOWOJSEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-8-3-1-7(2-4-8)5-11(14(19)20)15-12(17)9-6-10(9)13(15)18/h1-4,9-11,16H,5-6H2,(H,19,20).
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 60792014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).