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

C20H31N3O3 — CID 122001001

IUPAC4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCN(CCNC(=O)NC(CCC(=O)O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H31N3O3/c1-23(18-9-5-6-10-18)14-13-21-20(26)22-17(11-12-19(24)25)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,24,25)(H2,21,22,26)
InChIKeyWOGJSWLSEUJLMO-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.64
Rot. Bonds10

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

4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122001001) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122001001
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCN(CCNC(=O)NC(CCC(=O)O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H31N3O3/c1-23(18-9-5-6-10-18)14-13-21-20(26)22-17(11-12-19(24)25)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,24,25)(H2,21,22,26)
InChIKeyWOGJSWLSEUJLMO-UHFFFAOYSA-N
XLogP2.64
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-[[[(1R,2R)-2-hydroxycyclohexyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122028067
5-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 82013028
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid (CID 122001001) is 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid is CN(CCNC(=O)NC(CCC(=O)O)Cc1ccccc1)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is WOGJSWLSEUJLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-23(18-9-5-6-10-18)14-13-21-20(26)22-17(11-12-19(24)25)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3,(H,24,25)(H2,21,22,26).
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid?
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 361.49 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122001001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).