2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid

C15H22N2O3 — CID 63323773

IUPAC2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)CCC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)10-9-12(16)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyVNLXNBIIBKZBPA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds8

About 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid

2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid (PubChem CID 63323773) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
PubChem CID63323773
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)CCC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)10-9-12(16)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyVNLXNBIIBKZBPA-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid?
The IUPAC name of 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid (CID 63323773) is 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid is CCCC(NC(=O)CCC(N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid?
The InChIKey is VNLXNBIIBKZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-6-13(15(19)20)17-14(18)10-9-12(16)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid?
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid is sourced from PubChem (CID 63323773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).