3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid

C13H18N2O4 — CID 103158245

IUPAC3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)c1ccccc1)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-15(10-6-4-3-5-7-10)13(18)14-9-11(19-2)8-12(16)17/h3-7,11H,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCUPDVVXYHZGFPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds6

About 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid

3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid (PubChem CID 103158245) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
PubChem CID103158245
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)c1ccccc1)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-15(10-6-4-3-5-7-10)13(18)14-9-11(19-2)8-12(16)17/h3-7,11H,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCUPDVVXYHZGFPX-UHFFFAOYSA-N
XLogP1.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 103159199
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159203
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 103158759
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
2-[[[methyl(phenyl)carbamoyl]amino]methyl]butanoic acid
CID 65218183
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614
4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158478

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid (CID 103158245) is 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid is COC(CNC(=O)N(C)c1ccccc1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid?
The InChIKey is CUPDVVXYHZGFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(10-6-4-3-5-7-10)13(18)14-9-11(19-2)8-12(16)17/h3-7,11H,8-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid?
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 103158245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).