(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid

C12H16N2O4 — CID 107825156

IUPAC(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
SMILESNC(C(=O)N[C@H](CCO)C(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O4/c13-10(8-4-2-1-3-5-8)11(16)14-9(6-7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10?/m1/s1
InChIKeyIDPUQCZUWNZJJM-YHMJZVADSA-N
MW252.27 g/mol
LogP-0.36
Rot. Bonds6

About (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825156) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
PubChem CID107825156
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
SMILESNC(C(=O)N[C@H](CCO)C(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O4/c13-10(8-4-2-1-3-5-8)11(16)14-9(6-7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10?/m1/s1
InChIKeyIDPUQCZUWNZJJM-YHMJZVADSA-N
XLogP-0.36
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
CID 61157194
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
(2S)-4-hydroxy-2-(2-phenylbutanoylamino)butanoic acid
CID 67038648
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid (CID 107825156) is (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid is NC(C(=O)N[C@H](CCO)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid?
The InChIKey is IDPUQCZUWNZJJM-YHMJZVADSA-N. The full InChI is InChI=1S/C12H16N2O4/c13-10(8-4-2-1-3-5-8)11(16)14-9(6-7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).