2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid

C12H15NO4 — CID 16774532

IUPAC2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
SMILESCOCC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyQOIHFIJWWAUYLZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.44
Rot. Bonds6

About 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid

2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid (PubChem CID 16774532) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
PubChem CID16774532
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
SMILESCOCC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyQOIHFIJWWAUYLZ-UHFFFAOYSA-N
XLogP0.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid (CID 16774532) is 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid is COCC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid?
The InChIKey is QOIHFIJWWAUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-8-11(14)13-10(12(15)16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid?
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 16774532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).