4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid

C18H23N3O3 — CID 122010045

IUPAC4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
SMILESN#CC1CCCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H23N3O3/c19-12-14-7-4-8-16(14)21-18(24)20-15(9-10-17(22)23)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-11H2,(H,22,23)(H2,20,21,24)
InChIKeyZTHCIAJIGOYRCN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds7

About 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid

4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122010045) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122010045
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
SMILESN#CC1CCCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H23N3O3/c19-12-14-7-4-8-16(14)21-18(24)20-15(9-10-17(22)23)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-11H2,(H,22,23)(H2,20,21,24)
InChIKeyZTHCIAJIGOYRCN-UHFFFAOYSA-N
XLogP2.45
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122006783
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid (CID 122010045) is 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid is N#CC1CCCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ZTHCIAJIGOYRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-12-14-7-4-8-16(14)21-18(24)20-15(9-10-17(22)23)11-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-11H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122010045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).