2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid

C13H17NO5 — CID 65443170

IUPAC2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
SMILESCOc1cccc(COCC(NC(C)=O)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-9(15)14-12(13(16)17)8-19-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYVVANHZKSMRPDX-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.80
Rot. Bonds7

About 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid

2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid (PubChem CID 65443170) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
PubChem CID65443170
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
SMILESCOc1cccc(COCC(NC(C)=O)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-9(15)14-12(13(16)17)8-19-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYVVANHZKSMRPDX-UHFFFAOYSA-N
XLogP0.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651372
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
(2R)-2-acetamido-3-(3-phenoxyphenyl)propanoic acid
CID 124585346
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525
2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70652039
3-[(3-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651354
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid?
The IUPAC name of 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid (CID 65443170) is 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid is COc1cccc(COCC(NC(C)=O)C(=O)O)c1.
What is the InChIKey of 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid?
The InChIKey is YVVANHZKSMRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9(15)14-12(13(16)17)8-19-7-10-4-3-5-11(6-10)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid?
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid is sourced from PubChem (CID 65443170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).