3-(2-aminopentanoylamino)-3-phenylpropanoic acid

C14H20N2O3 — CID 61156736

IUPAC3-(2-aminopentanoylamino)-3-phenylpropanoic acid
SMILESCCCC(N)C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-6-11(15)14(19)16-12(9-13(17)18)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVEMOKCZWBAYPM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds7

About 3-(2-aminopentanoylamino)-3-phenylpropanoic acid

3-(2-aminopentanoylamino)-3-phenylpropanoic acid (PubChem CID 61156736) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2-aminopentanoylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-aminopentanoylamino)-3-phenylpropanoic acid
PubChem CID61156736
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(2-aminopentanoylamino)-3-phenylpropanoic acid
SMILESCCCC(N)C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-6-11(15)14(19)16-12(9-13(17)18)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVEMOKCZWBAYPM-UHFFFAOYSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
2-amino-N-(1,1-diphenylpropan-2-yl)pentanamide
CID 119285600
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]butanoic acid
CID 10314896
3-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 61159314
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
2-amino-N-(3,3-dimethyl-1-phenylbutyl)hexanamide
CID 60853479

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(2-aminopentanoylamino)-3-phenylpropanoic acid (CID 61156736) is 3-(2-aminopentanoylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2-aminopentanoylamino)-3-phenylpropanoic acid is CCCC(N)C(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-aminopentanoylamino)-3-phenylpropanoic acid?
The InChIKey is RVEMOKCZWBAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-11(15)14(19)16-12(9-13(17)18)10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(2-aminopentanoylamino)-3-phenylpropanoic acid?
3-(2-aminopentanoylamino)-3-phenylpropanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopentanoylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 61156736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).