(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid

C11H13NO4 — CID 14503812

IUPAC(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@H](O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(11(15)16)12-10(14)9(13)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)/t7-,9-/m1/s1
InChIKeyZMKSFSXGEGKOSB-VXNVDRBHSA-N
MW223.23 g/mol
LogP0.31
Rot. Bonds4

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

(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid (PubChem CID 14503812) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
PubChem CID14503812
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@H](O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-7(11(15)16)12-10(14)9(13)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)/t7-,9-/m1/s1
InChIKeyZMKSFSXGEGKOSB-VXNVDRBHSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid (CID 14503812) is (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid is C[C@@H](NC(=O)[C@H](O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid?
The InChIKey is ZMKSFSXGEGKOSB-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(11(15)16)12-10(14)9(13)8-5-3-2-4-6-8/h2-7,9,13H,1H3,(H,12,14)(H,15,16)/t7-,9-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid is sourced from PubChem (CID 14503812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).