3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H17NO4 — CID 103551256

IUPAC3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccccc2O)C1
InChIInChI=1S/C14H17NO4/c16-12-4-2-1-3-11(12)8-15-13(17)9-5-6-10(7-9)14(18)19/h1-4,9-10,16H,5-8H2,(H,15,17)(H,18,19)
InChIKeyVVODIRIPHKXYRW-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.51
Rot. Bonds4

About 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551256) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551256
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccccc2O)C1
InChIInChI=1S/C14H17NO4/c16-12-4-2-1-3-11(12)8-15-13(17)9-5-6-10(7-9)14(18)19/h1-4,9-10,16H,5-8H2,(H,15,17)(H,18,19)
InChIKeyVVODIRIPHKXYRW-UHFFFAOYSA-N
XLogP1.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
cis-(1S,3R)-3-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146137048
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
2-[2-[[(4-aminocyclohexanecarbonyl)amino]methyl]phenyl]acetic acid
CID 81313103
cis-(1S,3R)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552892

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103551256) is 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2ccccc2O)C1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VVODIRIPHKXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12-4-2-1-3-11(12)8-15-13(17)9-5-6-10(7-9)14(18)19/h1-4,9-10,16H,5-8H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).