(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid

C11H13NO5 — CID 107833828

IUPAC(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C11H13NO5/c13-8(11(16)17)6-12-10(15)9(14)7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2,(H,12,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyIDESWQGVCZDVPU-IENPIDJESA-N
MW239.23 g/mol
LogP-0.72
Rot. Bonds5

About (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid (PubChem CID 107833828) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
PubChem CID107833828
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C11H13NO5/c13-8(11(16)17)6-12-10(15)9(14)7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2,(H,12,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyIDESWQGVCZDVPU-IENPIDJESA-N
XLogP-0.72
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
(2S)-3-(2-benzamidopropanoylamino)-2-hydroxypropanoic acid
CID 107832949
2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid (CID 107833828) is (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid?
The InChIKey is IDESWQGVCZDVPU-IENPIDJESA-N. The full InChI is InChI=1S/C11H13NO5/c13-8(11(16)17)6-12-10(15)9(14)7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2,(H,12,15)(H,16,17)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 107833828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).