3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid

C17H23NO4 — CID 154870795

IUPAC3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
SMILESCOc1cccc(C2(NC(=O)C(C)C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO4/c1-12(16(20)21)15(19)18-17(9-4-3-5-10-17)13-7-6-8-14(11-13)22-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYGLQLQWIEMKSPI-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.69
Rot. Bonds5

About 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid

3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid (PubChem CID 154870795) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
PubChem CID154870795
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
SMILESCOc1cccc(C2(NC(=O)C(C)C(=O)O)CCCCC2)c1
InChIInChI=1S/C17H23NO4/c1-12(16(20)21)15(19)18-17(9-4-3-5-10-17)13-7-6-8-14(11-13)22-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYGLQLQWIEMKSPI-UHFFFAOYSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic 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

N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
N-[1-(3-methoxyphenyl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674747
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
3,5-difluoro-4-hydroxy-N-[1-(3-methoxyphenyl)cyclopropyl]benzamide
CID 86792000
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
N-[1-(3-methoxyphenyl)cyclopentyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 16674649
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid (CID 154870795) is 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid is COc1cccc(C2(NC(=O)C(C)C(=O)O)CCCCC2)c1.
What is the InChIKey of 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is YGLQLQWIEMKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(16(20)21)15(19)18-17(9-4-3-5-10-17)13-7-6-8-14(11-13)22-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid?
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 154870795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).