3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid

C14H18N2O4 — CID 115913793

IUPAC3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGFZTWLXBLOIFO-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.25
Rot. Bonds5

About 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 115913793) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID115913793
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGFZTWLXBLOIFO-UHFFFAOYSA-N
XLogP0.25
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic 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

3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173367
1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
CID 106188279
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 115913793) is 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O.
What is the InChIKey of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is IGFZTWLXBLOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 115913793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).