4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid

C17H24N2O5 — CID 122023538

IUPAC4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C(O)CNC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-24-14-4-2-3-12(9-14)15(20)10-18-17(23)19-13-7-5-11(6-8-13)16(21)22/h2-4,9,11,13,15,20H,5-8,10H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyFJQNZLKCBBZQGP-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.67
Rot. Bonds6

About 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122023538) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122023538
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(C(O)CNC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-24-14-4-2-3-12(9-14)15(20)10-18-17(23)19-13-7-5-11(6-8-13)16(21)22/h2-4,9,11,13,15,20H,5-8,10H2,1H3,(H,21,22)(H2,18,19,23)
InChIKeyFJQNZLKCBBZQGP-UHFFFAOYSA-N
XLogP1.67
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic 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-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-(4-hydroxycyclohexyl)-3-[2-hydroxy-2-(3-phenoxyphenyl)ethyl]urea
CID 119061128
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
2-[ethyl-[3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122025491
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
CID 100678238
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122023538) is 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid is COc1cccc(C(O)CNC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FJQNZLKCBBZQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-24-14-4-2-3-12(9-14)15(20)10-18-17(23)19-13-7-5-11(6-8-13)16(21)22/h2-4,9,11,13,15,20H,5-8,10H2,1H3,(H,21,22)(H2,18,19,23).
What are the key properties of 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).