3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid

C12H15NO5 — CID 114144281

IUPAC3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO5/c1-18-9(12(16)17)7-13-11(15)10(14)8-5-3-2-4-6-8/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17)
InChIKeySUCASDIBQQVPIM-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.06
Rot. Bonds6

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

3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid (PubChem CID 114144281) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
PubChem CID114144281
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)C(O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO5/c1-18-9(12(16)17)7-13-11(15)10(14)8-5-3-2-4-6-8/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17)
InChIKeySUCASDIBQQVPIM-UHFFFAOYSA-N
XLogP-0.06
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
CID 107833828
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid (CID 114144281) is 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)C(O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid?
The InChIKey is SUCASDIBQQVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-18-9(12(16)17)7-13-11(15)10(14)8-5-3-2-4-6-8/h2-6,9-10,14H,7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid?
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid has a molecular weight of 253.25 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).