2-(5-carbamoyl-2-methoxyanilino)propanoic acid

C11H14N2O4 — CID 66174329

IUPAC2-(5-carbamoyl-2-methoxyanilino)propanoic acid
SMILESCOc1ccc(C(N)=O)cc1NC(C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-8-5-7(10(12)14)3-4-9(8)17-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyUKTYGOXFARBQMK-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.68
Rot. Bonds5

About 2-(5-carbamoyl-2-methoxyanilino)propanoic acid

2-(5-carbamoyl-2-methoxyanilino)propanoic acid (PubChem CID 66174329) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(5-carbamoyl-2-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-2-methoxyanilino)propanoic acid
PubChem CID66174329
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(5-carbamoyl-2-methoxyanilino)propanoic acid
SMILESCOc1ccc(C(N)=O)cc1NC(C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-6(11(15)16)13-8-5-7(10(12)14)3-4-9(8)17-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16)
InChIKeyUKTYGOXFARBQMK-UHFFFAOYSA-N
XLogP0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738
3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methoxybenzamide
CID 43735355
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742
4-methoxy-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43789045
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2-methoxyanilino)propanoic acid?
The IUPAC name of 2-(5-carbamoyl-2-methoxyanilino)propanoic acid (CID 66174329) is 2-(5-carbamoyl-2-methoxyanilino)propanoic acid.
What is the SMILES notation for 2-(5-carbamoyl-2-methoxyanilino)propanoic acid?
The canonical SMILES for 2-(5-carbamoyl-2-methoxyanilino)propanoic acid is COc1ccc(C(N)=O)cc1NC(C)C(=O)O.
What is the InChIKey of 2-(5-carbamoyl-2-methoxyanilino)propanoic acid?
The InChIKey is UKTYGOXFARBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(11(15)16)13-8-5-7(10(12)14)3-4-9(8)17-2/h3-6,13H,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 2-(5-carbamoyl-2-methoxyanilino)propanoic acid?
2-(5-carbamoyl-2-methoxyanilino)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2-methoxyanilino)propanoic acid is sourced from PubChem (CID 66174329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).