2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid

C13H18N2O5 — CID 62637175

IUPAC2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(NC(=O)N(C)C(C)C(=O)O)cc1OC
InChIInChI=1S/C13H18N2O5/c1-8(12(16)17)15(2)13(18)14-9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,14,18)(H,16,17)
InChIKeyMZAUIDNEEOJONS-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.64
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid

2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid (PubChem CID 62637175) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
PubChem CID62637175
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid
SMILESCOc1ccc(NC(=O)N(C)C(C)C(=O)O)cc1OC
InChIInChI=1S/C13H18N2O5/c1-8(12(16)17)15(2)13(18)14-9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,14,18)(H,16,17)
InChIKeyMZAUIDNEEOJONS-UHFFFAOYSA-N
XLogP1.64
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776
2-[(3,4-dimethoxyphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62639198
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
4-(3,4-dimethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496094
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637949
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
(3,4-dimethoxyphenyl)urea
CID 21197430
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
3-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075590

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid (CID 62637175) is 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid is COc1ccc(NC(=O)N(C)C(C)C(=O)O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is MZAUIDNEEOJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(12(16)17)15(2)13(18)14-9-5-6-10(19-3)11(7-9)20-4/h5-8H,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid?
2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).