(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid

C15H22N2O3 — CID 78991000

IUPAC(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)9-12(13(18)19)17-14(20)15(3,16)11-7-5-4-6-8-11/h4-8,10,12H,9,16H2,1-3H3,(H,17,20)(H,18,19)/t12-,15?/m1/s1
InChIKeyXMFCLLSLCJESMW-KEKZHRQWSA-N
MW278.35 g/mol
LogP1.48
Rot. Bonds6

About (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid

(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 78991000) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID78991000
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)9-12(13(18)19)17-14(20)15(3,16)11-7-5-4-6-8-11/h4-8,10,12H,9,16H2,1-3H3,(H,17,20)(H,18,19)/t12-,15?/m1/s1
InChIKeyXMFCLLSLCJESMW-KEKZHRQWSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylsulfanylbutanoic acid
CID 62489293
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
2-amino-N-(1-amino-1-oxopropan-2-yl)-2-phenylpropanamide
CID 62488756
2-amino-N-(3-methylbutan-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586686
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
4-methyl-2-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]pentanoic acid
CID 22144169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid (CID 78991000) is (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C(C)(N)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is XMFCLLSLCJESMW-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)9-12(13(18)19)17-14(20)15(3,16)11-7-5-4-6-8-11/h4-8,10,12H,9,16H2,1-3H3,(H,17,20)(H,18,19)/t12-,15?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 78991000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).