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

C15H22N2O4 — CID 103158759

IUPAC3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)Cc1cccc(C)c1)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-5-4-6-12(7-11)10-17(2)15(20)16-9-13(21-3)8-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUCVCXJRUBMYIKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds7

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

3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 103158759) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
PubChem CID103158759
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
SMILESCOC(CNC(=O)N(C)Cc1cccc(C)c1)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-5-4-6-12(7-11)10-17(2)15(20)16-9-13(21-3)8-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUCVCXJRUBMYIKG-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 81069552
3-[[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81066467
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 62671339
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methyl-2-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 61411634
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159203
2,2-dimethyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 115428500
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid (CID 103158759) is 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid is COC(CNC(=O)N(C)Cc1cccc(C)c1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is UCVCXJRUBMYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-5-4-6-12(7-11)10-17(2)15(20)16-9-13(21-3)8-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 103158759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).