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

C19H26N2O4 — CID 119114013

IUPAC3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNC(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C19H26N2O4/c22-17(11-10-14-6-4-5-7-14)20-13-18(23)21-16(12-19(24)25)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyMIYBITAFVTYLLP-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.41
Rot. Bonds9

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

3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 119114013) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
PubChem CID119114013
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)CNC(=O)CCC1CCCC1)c1ccccc1
InChIInChI=1S/C19H26N2O4/c22-17(11-10-14-6-4-5-7-14)20-13-18(23)21-16(12-19(24)25)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyMIYBITAFVTYLLP-UHFFFAOYSA-N
XLogP2.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 45431634
2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
CID 119202069
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
(3S)-3-phenyl-3-(4,4,4-trifluorobutanoylamino)propanoic acid
CID 94831306
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid (CID 119114013) is 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)CNC(=O)CCC1CCCC1)c1ccccc1.
What is the InChIKey of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is MIYBITAFVTYLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17(11-10-14-6-4-5-7-14)20-13-18(23)21-16(12-19(24)25)15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119114013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).