(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid

C13H18N2O4 — CID 114264145

IUPAC(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NC[C@H](O)C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-13(2,9-6-4-3-5-7-9)15-12(19)14-8-10(16)11(17)18/h3-7,10,16H,8H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1
InChIKeyPOMIJECVFXXUKI-JTQLQIEISA-N
MW266.30 g/mol
LogP0.67
Rot. Bonds5

About (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid

(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid (PubChem CID 114264145) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
PubChem CID114264145
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(NC(=O)NC[C@H](O)C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O4/c1-13(2,9-6-4-3-5-7-9)15-12(19)14-8-10(16)11(17)18/h3-7,10,16H,8H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1
InChIKeyPOMIJECVFXXUKI-JTQLQIEISA-N
XLogP0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
(2S)-2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)carbamoylamino]propanoic acid
CID 107841058
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 107841057
2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid (CID 114264145) is (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid is CC(C)(NC(=O)NC[C@H](O)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is POMIJECVFXXUKI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,9-6-4-3-5-7-9)15-12(19)14-8-10(16)11(17)18/h3-7,10,16H,8H2,1-2H3,(H,17,18)(H2,14,15,19)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid?
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114264145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).