2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid

C15H22N2O3 — CID 115867310

IUPAC2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
SMILESCC(CCCN)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(7-6-10-16)13(18)17-15(2,14(19)20)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBEPYHDOMYHYACV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds7

About 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid

2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid (PubChem CID 115867310) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
PubChem CID115867310
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
SMILESCC(CCCN)C(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(7-6-10-16)13(18)17-15(2,14(19)20)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBEPYHDOMYHYACV-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-amino-N-[2-(4-bromophenyl)propan-2-yl]-2-methylpentanamide
CID 104683780
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
5-amino-2-methyl-N-phenylmethoxypentanamide
CID 104685201
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
2-phenyl-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 55078201

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid (CID 115867310) is 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid is CC(CCCN)C(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid?
The InChIKey is BEPYHDOMYHYACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(7-6-10-16)13(18)17-15(2,14(19)20)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid?
2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 115867310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).