1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H17NO4 — CID 17442656

IUPAC1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c16-11-5-3-10(4-6-11)15-12(17)9-14(13(18)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,15,17)(H,18,19)
InChIKeyPMHNDEPXUDKVJX-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 17442656) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID17442656
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc(O)cc1
InChIInChI=1S/C14H17NO4/c16-11-5-3-10(4-6-11)15-12(17)9-14(13(18)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,15,17)(H,18,19)
InChIKeyPMHNDEPXUDKVJX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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

1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 17422094
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
1-[2-[4-(4-methylpyrimidin-2-yl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91642886
1-[2-oxo-2-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]cycloheptane-1-carboxylic acid
CID 56798009
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 17442656) is 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PMHNDEPXUDKVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-11-5-3-10(4-6-11)15-12(17)9-14(13(18)19)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 17442656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).