2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid

C15H22N2O3 — CID 62878367

IUPAC2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(CN)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-9-15(2,14(19)20)17-13(18)12(10-16)11-7-5-4-6-8-11/h4-8,12H,3,9-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWBRWPFFSVSFWJN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.49
Rot. Bonds7

About 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid

2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid (PubChem CID 62878367) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
PubChem CID62878367
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C(CN)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-3-9-15(2,14(19)20)17-13(18)12(10-16)11-7-5-4-6-8-11/h4-8,12H,3,9-10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWBRWPFFSVSFWJN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpropanamide
CID 62877842
2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
3-amino-N-(2-cyclopropylpropan-2-yl)-2-phenylpropanamide
CID 114110658
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylpropanamide
CID 107852996
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437
2-methyl-2-[(2-methyl-1-phenylpropyl)amino]pentanoic acid
CID 65055783
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylpentanoic acid
CID 61160084
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid (CID 62878367) is 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)C(CN)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid?
The InChIKey is WBRWPFFSVSFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-9-15(2,14(19)20)17-13(18)12(10-16)11-7-5-4-6-8-11/h4-8,12H,3,9-10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid?
2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-phenylpropanoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 62878367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).