3-(5-acetamido-2-methoxyanilino)propanoic acid

C12H16N2O4 — CID 54299266

IUPAC3-(5-acetamido-2-methoxyanilino)propanoic acid
SMILESCOc1ccc(NC(C)=O)cc1NCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(15)14-9-3-4-11(18-2)10(7-9)13-6-5-12(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySDAUKJZPELRNOA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.54
Rot. Bonds6

About 3-(5-acetamido-2-methoxyanilino)propanoic acid

3-(5-acetamido-2-methoxyanilino)propanoic acid (PubChem CID 54299266) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(5-acetamido-2-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(5-acetamido-2-methoxyanilino)propanoic acid
PubChem CID54299266
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-(5-acetamido-2-methoxyanilino)propanoic acid
SMILESCOc1ccc(NC(C)=O)cc1NCCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8(15)14-9-3-4-11(18-2)10(7-9)13-6-5-12(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySDAUKJZPELRNOA-UHFFFAOYSA-N
XLogP1.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
3-[2-methoxy-5-[[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoyl]amino]anilino]propanoic acid
CID 10342644
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715745
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
N-[4-methoxy-3-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63740553

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetamido-2-methoxyanilino)propanoic acid?
The IUPAC name of 3-(5-acetamido-2-methoxyanilino)propanoic acid (CID 54299266) is 3-(5-acetamido-2-methoxyanilino)propanoic acid.
What is the SMILES notation for 3-(5-acetamido-2-methoxyanilino)propanoic acid?
The canonical SMILES for 3-(5-acetamido-2-methoxyanilino)propanoic acid is COc1ccc(NC(C)=O)cc1NCCC(=O)O.
What is the InChIKey of 3-(5-acetamido-2-methoxyanilino)propanoic acid?
The InChIKey is SDAUKJZPELRNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(15)14-9-3-4-11(18-2)10(7-9)13-6-5-12(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(5-acetamido-2-methoxyanilino)propanoic acid?
3-(5-acetamido-2-methoxyanilino)propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetamido-2-methoxyanilino)propanoic acid is sourced from PubChem (CID 54299266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).