2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid

C20H28ClNO3 — CID 11639199

IUPAC2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)O
InChIInChI=1S/C20H28ClNO3/c1-2-5-16(18(23)24)14-20(11-3-4-12-20)19(25)22-13-10-15-6-8-17(21)9-7-15/h6-9,16H,2-5,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyODYNFQAKYMVEJJ-UHFFFAOYSA-N
MW365.90 g/mol
LogP4.45
Rot. Bonds9

About 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11639199) has the molecular formula C20H28ClNO3 and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11639199
Molecular FormulaC20H28ClNO3
Molecular Weight365.90 g/mol
Exact Mass365.18
IUPAC Name2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)O
InChIInChI=1S/C20H28ClNO3/c1-2-5-16(18(23)24)14-20(11-3-4-12-20)19(25)22-13-10-15-6-8-17(21)9-7-15/h6-9,16H,2-5,10-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyODYNFQAKYMVEJJ-UHFFFAOYSA-N
XLogP4.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-((1-((3-(4-chlorophenyl)propyl)carbamoyl)cyclopentyl)methyl)-4-methoxybutanoic acid
CID 15978653
NEP-In-1
CID 10272048
(2S,4R)-2-butyl-6-[4-(4-chlorophenyl)phenyl]-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]hexanoic acid
CID 10744751
2-((1-(((1R,2R)-2-benzylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11531417
2-((1-(((R)-1-phenylethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652860
2-((1-(((S)-1-hydroxy-3-phenylpropan-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11682031
2-[[1-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]cyclopentyl]methyl]-3-methoxypropanoic acid
CID 44422240
2-[[1-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 44422261
4-Methoxy-2-[[1-(3-phenylpropylcarbamoyl)cyclopentyl]methyl]butanoic acid
CID 44422272
2-[[1-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 44422336
4-Methoxy-2-[[1-(2-phenylethylcarbamoyl)cyclopentyl]methyl]butanoic acid
CID 44422343
2-[1-[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738145

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11639199) is 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NCCc2ccc(Cl)cc2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is ODYNFQAKYMVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO3/c1-2-5-16(18(23)24)14-20(11-3-4-12-20)19(25)22-13-10-15-6-8-17(21)9-7-15/h6-9,16H,2-5,10-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 365.90 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(4-chlorophenyl)ethylcarbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11639199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).