2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid

C20H28N2O4 — CID 119202069

IUPAC2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)CNC(=O)CCC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-2-20(19(25)26,16-10-4-3-5-11-16)22-18(24)14-21-17(23)13-12-15-8-6-7-9-15/h3-5,10-11,15H,2,6-9,12-14H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyOUXJJADRHFEAJD-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.58
Rot. Bonds9

About 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid

2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid (PubChem CID 119202069) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
PubChem CID119202069
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)CNC(=O)CCC1CCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-2-20(19(25)26,16-10-4-3-5-11-16)22-18(24)14-21-17(23)13-12-15-8-6-7-9-15/h3-5,10-11,15H,2,6-9,12-14H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyOUXJJADRHFEAJD-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-2-phenylbutanoic acid
CID 119201694
2-(4-chlorophenyl)-2-[3-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977792
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(4-chlorophenyl)-2-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 120977758
2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
CID 119201999
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
CID 119114013
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250220
2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
CID 119202071
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
2-phenyl-2-(thiane-4-carbonylamino)butanoic acid
CID 120519058
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]benzoic acid
CID 75429242

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid (CID 119202069) is 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)CNC(=O)CCC1CCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid?
The InChIKey is OUXJJADRHFEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-20(19(25)26,16-10-4-3-5-11-16)22-18(24)14-21-17(23)13-12-15-8-6-7-9-15/h3-5,10-11,15H,2,6-9,12-14H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid?
2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 119202069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).