(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid

C12H15NO4 — CID 78986376

IUPAC(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10(17-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)/t8-,10?/m0/s1
InChIKeyUMPAAEPHRMAIIJ-PEHGTWAWSA-N
MW237.25 g/mol
LogP0.96
Rot. Bonds5

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

(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (PubChem CID 78986376) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
PubChem CID78986376
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
SMILESCOC(C(=O)N[C@@H](C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10(17-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)/t8-,10?/m0/s1
InChIKeyUMPAAEPHRMAIIJ-PEHGTWAWSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
2-[[2-(2-ethylphenoxy)-2-phenylacetyl]amino]propanoic acid
CID 119348591
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
N-(4-anilinophenyl)-2-methoxy-2-phenylacetamide
CID 75415396
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
(2S)-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 99853132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid (CID 78986376) is (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid is COC(C(=O)N[C@@H](C)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
The InChIKey is UMPAAEPHRMAIIJ-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)10(17-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid?
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 78986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).