3-methoxy-2-(phenacylamino)propanoic acid

C12H15NO4 — CID 22284590

IUPAC3-methoxy-2-(phenacylamino)propanoic acid
SMILESCOCC(NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-17-8-10(12(15)16)13-7-11(14)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,15,16)
InChIKeyZCFFXAAVTGGCJX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.56
Rot. Bonds7

About 3-methoxy-2-(phenacylamino)propanoic acid

3-methoxy-2-(phenacylamino)propanoic acid (PubChem CID 22284590) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methoxy-2-(phenacylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(phenacylamino)propanoic acid
PubChem CID22284590
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name3-methoxy-2-(phenacylamino)propanoic acid
SMILESCOCC(NCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-17-8-10(12(15)16)13-7-11(14)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,15,16)
InChIKeyZCFFXAAVTGGCJX-UHFFFAOYSA-N
XLogP0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
(2S)-4-methylsulfanyl-2-(phenacylamino)butanoic acid
CID 22811813
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenacylamino)butanoic acid
CID 176600849
methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
CID 58817588
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
2-(ethylamino)-4-oxo-4-phenylbutanoic acid
CID 23008759
2-[[4-(hydroxymethyl)phenyl]methylamino]-3-methoxypropanoic acid
CID 107232541
3-methoxy-1-phenylpropan-1-one
CID 10942788

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(phenacylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(phenacylamino)propanoic acid (CID 22284590) is 3-methoxy-2-(phenacylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(phenacylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(phenacylamino)propanoic acid is COCC(NCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(phenacylamino)propanoic acid?
The InChIKey is ZCFFXAAVTGGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-8-10(12(15)16)13-7-11(14)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-2-(phenacylamino)propanoic acid?
3-methoxy-2-(phenacylamino)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(phenacylamino)propanoic acid is sourced from PubChem (CID 22284590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).