2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid

C14H16ClNO4 — CID 60826765

IUPAC2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-7-9(5-6-12(11)17)14(20)16(8-13(18)19)10-3-1-2-4-10/h5-7,10,17H,1-4,8H2,(H,18,19)
InChIKeyMQCFIEMGJAKVSS-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.52
Rot. Bonds4

About 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid

2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid (PubChem CID 60826765) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
PubChem CID60826765
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16ClNO4/c15-11-7-9(5-6-12(11)17)14(20)16(8-13(18)19)10-3-1-2-4-10/h5-7,10,17H,1-4,8H2,(H,18,19)
InChIKeyMQCFIEMGJAKVSS-UHFFFAOYSA-N
XLogP2.52
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
2-[cyclopentyl(1H-indole-5-carbonyl)amino]acetic acid
CID 63748053
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
CID 60826007
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid (CID 60826765) is 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid is O=C(O)CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid?
The InChIKey is MQCFIEMGJAKVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-7-9(5-6-12(11)17)14(20)16(8-13(18)19)10-3-1-2-4-10/h5-7,10,17H,1-4,8H2,(H,18,19).
What are the key properties of 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid?
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 60826765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).