4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid

C22H26ClNO2 — CID 122045943

IUPAC4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCCC1c1ccccc1Cl
InChIInChI=1S/C22H26ClNO2/c23-20-11-5-4-9-18(20)19-10-6-12-21(19)24-17(13-14-22(25)26)15-16-7-2-1-3-8-16/h1-5,7-9,11,17,19,21,24H,6,10,12-15H2,(H,25,26)
InChIKeyADBOEKLHPGPKLO-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.04
Rot. Bonds8

About 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid

4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid (PubChem CID 122045943) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid
PubChem CID122045943
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCCC1c1ccccc1Cl
InChIInChI=1S/C22H26ClNO2/c23-20-11-5-4-9-18(20)19-10-6-12-21(19)24-17(13-14-22(25)26)15-16-7-2-1-3-8-16/h1-5,7-9,11,17,19,21,24H,6,10,12-15H2,(H,25,26)
InChIKeyADBOEKLHPGPKLO-UHFFFAOYSA-N
XLogP5.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
CID 122046074
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
2-[[[2-(2-chlorophenyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
CID 122128586
4-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122006783
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid (CID 122045943) is 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC1CCCC1c1ccccc1Cl.
What is the InChIKey of 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid?
The InChIKey is ADBOEKLHPGPKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c23-20-11-5-4-9-18(20)19-10-6-12-21(19)24-17(13-14-22(25)26)15-16-7-2-1-3-8-16/h1-5,7-9,11,17,19,21,24H,6,10,12-15H2,(H,25,26).
What are the key properties of 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid?
4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid has a molecular weight of 371.91 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).