(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid

C13H18N2O3 — CID 104984248

IUPAC(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C(N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)15-12(16)11(14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,11?/m1/s1
InChIKeyCLORLBNKMMHLEL-BFHBGLAWSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds6

About (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid

(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid (PubChem CID 104984248) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
PubChem CID104984248
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C(N)CCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9(13(17)18)15-12(16)11(14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,11?/m1/s1
InChIKeyCLORLBNKMMHLEL-BFHBGLAWSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(2S)-2-[[(2S)-2-amino-6-(3-phenylpropanoylamino)hexanoyl]amino]propanoic acid
CID 11233376
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
benzyl (2S)-2-[2-[[(2S)-2-amino-4-phenylbutanoyl]amino]propanoylamino]-3-phenylpropanoate
CID 144576469
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid (CID 104984248) is (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid is C[C@@H](NC(=O)C(N)CCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid?
The InChIKey is CLORLBNKMMHLEL-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(13(17)18)15-12(16)11(14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,16)(H,17,18)/t9-,11?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid?
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.54, 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-4-phenylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 104984248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).