2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

C16H20ClNO3 — CID 45268068

IUPAC2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2Cl)CCCC1
InChIInChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-18-14(19)9-16(10-15(20)21)7-3-4-8-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyIRQPZLFATHVOCX-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.38
Rot. Bonds6

About 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 45268068) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID45268068
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccccc2Cl)CCCC1
InChIInChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-18-14(19)9-16(10-15(20)21)7-3-4-8-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21)
InChIKeyIRQPZLFATHVOCX-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(((R)-1-phenylethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652860
2-[1-[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738145
2-[1-[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738146
2-(1-(2-(2-Chloro-4-fluorobenzylamino)-2-oxoethyl)cyclopentyl)acetic acid
CID 45269801
5-{[2-(3-Chlorophenyl)ethyl]amino}-5-oxopentanoic acid
CID 2169838
5-[2-(4-Chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 4685096
8-[(2-Chlorobenzoyl)amino]octanoic acid
CID 10780370
5-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2810692
2-[1-[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 8105898
2-((1-((4-Chlorophenethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11639199
5-[(4-Chlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 2732317
{1-[2-(Benzylamino)-2-oxoethyl]cyclopentyl}acetic acid
CID 938078

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 45268068) is 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccccc2Cl)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is IRQPZLFATHVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-18-14(19)9-16(10-15(20)21)7-3-4-8-16/h1-2,5-6H,3-4,7-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 309.79 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 45268068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).