3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

C13H14ClNO4 — CID 66031335

IUPAC3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H14ClNO4/c14-8-2-4-10(11(16)6-8)12(17)15-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H,15,17)(H,18,19)
InChIKeyDSSCEAVZMYFZSC-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.03
Rot. Bonds3

About 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66031335) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66031335
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H14ClNO4/c14-8-2-4-10(11(16)6-8)12(17)15-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H,15,17)(H,18,19)
InChIKeyDSSCEAVZMYFZSC-UHFFFAOYSA-N
XLogP2.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
CID 113274257
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
N-[4-(bromomethyl)cyclohexyl]-4-chloro-2-hydroxybenzamide
CID 112753008
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66031335) is 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1ccc(Cl)cc1O.
What is the InChIKey of 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DSSCEAVZMYFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-8-2-4-10(11(16)6-8)12(17)15-9-3-1-7(5-9)13(18)19/h2,4,6-7,9,16H,1,3,5H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).