2-(5-acetamido-2-methoxyanilino)butanoic acid

C13H18N2O4 — CID 115352715

IUPAC2-(5-acetamido-2-methoxyanilino)butanoic acid
SMILESCCC(Nc1cc(NC(C)=O)ccc1OC)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-11-7-9(14-8(2)16)5-6-12(11)19-3/h5-7,10,15H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyIERCZBNRSFEYFN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.93
Rot. Bonds6

About 2-(5-acetamido-2-methoxyanilino)butanoic acid

2-(5-acetamido-2-methoxyanilino)butanoic acid (PubChem CID 115352715) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)butanoic acid.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)butanoic acid
PubChem CID115352715
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(5-acetamido-2-methoxyanilino)butanoic acid
SMILESCCC(Nc1cc(NC(C)=O)ccc1OC)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-11-7-9(14-8(2)16)5-6-12(11)19-3/h5-7,10,15H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyIERCZBNRSFEYFN-UHFFFAOYSA-N
XLogP1.93
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
2-(3-ethoxy-4-methoxyanilino)butanoic acid
CID 115352840
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)butanoic acid?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)butanoic acid (CID 115352715) is 2-(5-acetamido-2-methoxyanilino)butanoic acid.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)butanoic acid?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)butanoic acid is CCC(Nc1cc(NC(C)=O)ccc1OC)C(=O)O.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)butanoic acid?
The InChIKey is IERCZBNRSFEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-10(13(17)18)15-11-7-9(14-8(2)16)5-6-12(11)19-3/h5-7,10,15H,4H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)butanoic acid?
2-(5-acetamido-2-methoxyanilino)butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)butanoic acid is sourced from PubChem (CID 115352715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).