1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 107737300

IUPAC1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCCC1)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4/c1-16(10-5-4-6-11(17)9-10)13(20)15-14(12(18)19)7-2-3-8-14/h4-6,9,17H,2-3,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyKSZPDDGTMVOJMM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 107737300) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID107737300
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(C(=O)NC1(C(=O)O)CCCC1)c1cccc(O)c1
InChIInChI=1S/C14H18N2O4/c1-16(10-5-4-6-11(17)9-10)13(20)15-14(12(18)19)7-2-3-8-14/h4-6,9,17H,2-3,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyKSZPDDGTMVOJMM-UHFFFAOYSA-N
XLogP1.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62003071
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508
1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 107737206
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 107737300) is 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is CN(C(=O)NC1(C(=O)O)CCCC1)c1cccc(O)c1.
What is the InChIKey of 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KSZPDDGTMVOJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(10-5-4-6-11(17)9-10)13(20)15-14(12(18)19)7-2-3-8-14/h4-6,9,17H,2-3,7-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107737300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).