4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid

C20H28N2O4 — CID 119201424

IUPAC4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
SMILESCC(CC(=O)NC(CCC(=O)O)c1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C20H28N2O4/c1-14(21-20(26)16-9-5-6-10-16)13-18(23)22-17(11-12-19(24)25)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyYLKWTYIRGKINCZ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.79
Rot. Bonds9

About 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid

4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid (PubChem CID 119201424) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
PubChem CID119201424
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
SMILESCC(CC(=O)NC(CCC(=O)O)c1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C20H28N2O4/c1-14(21-20(26)16-9-5-6-10-16)13-18(23)22-17(11-12-19(24)25)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyYLKWTYIRGKINCZ-UHFFFAOYSA-N
XLogP2.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
(4S)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626219
(4R)-4-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]-4-phenylbutanoic acid
CID 124626221
4-(1-cyclopropylethylcarbamoylamino)-4-phenylbutanoic acid
CID 61197747
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111102571
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid (CID 119201424) is 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid is CC(CC(=O)NC(CCC(=O)O)c1ccccc1)NC(=O)C1CCCC1.
What is the InChIKey of 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid?
The InChIKey is YLKWTYIRGKINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14(21-20(26)16-9-5-6-10-16)13-18(23)22-17(11-12-19(24)25)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid?
4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).