2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid

C12H15NO3 — CID 84724767

IUPAC2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c14-9-6-4-8(5-7-9)13-11-3-1-2-10(11)12(15)16/h4-7,10-11,13-14H,1-3H2,(H,15,16)
InChIKeyFJBGCXJGWFXBMB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.06
Rot. Bonds3

About 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid

2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid (PubChem CID 84724767) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
PubChem CID84724767
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccc(O)cc1
InChIInChI=1S/C12H15NO3/c14-9-6-4-8(5-7-9)13-11-3-1-2-10(11)12(15)16/h4-7,10-11,13-14H,1-3H2,(H,15,16)
InChIKeyFJBGCXJGWFXBMB-UHFFFAOYSA-N
XLogP2.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamoylanilino)cyclopentane-1-carboxylic acid
CID 64817627
2-(4-phenylanilino)cyclobutane-1-carboxylic acid
CID 103230394
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
methyl 2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117303
cis-methyl (1R,2S)-2-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 71117304
2-anilino-N-phenylcyclohexane-1-carboxamide
CID 12512570
4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
CID 131701513
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[4-[4-(1-adamantyl)-2-chloroanilino]anilino]cyclohexane-1-carboxylic acid
CID 155134027
trans-(1R,2R)-2-(phenylcarbamothioylamino)cyclopentane-1-carboxylic acid
CID 10539560

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid (CID 84724767) is 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid?
The InChIKey is FJBGCXJGWFXBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-9-6-4-8(5-7-9)13-11-3-1-2-10(11)12(15)16/h4-7,10-11,13-14H,1-3H2,(H,15,16).
What are the key properties of 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid?
2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84724767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).