4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid

C15H22N2O4 — CID 62480404

IUPAC4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N(C)Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)10-17(2)15(20)16-13(14(18)19)8-9-21-3/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOTZZSDHUJZNEPE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds7

About 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid

4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 62480404) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
PubChem CID62480404
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)N(C)Cc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)10-17(2)15(20)16-13(14(18)19)8-9-21-3/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOTZZSDHUJZNEPE-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

2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
(2R)-2-[[(4-bromophenyl)methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826606
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
3-methoxy-2-[[methyl-(4-methylphenyl)carbamoyl]amino]propanoic acid
CID 81083727
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
(2S)-2-hydroxy-4-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 107838215
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
2-[[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]methyl]butanoic acid
CID 65218795
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976178
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid (CID 62480404) is 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid is COCCC(NC(=O)N(C)Cc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is OTZZSDHUJZNEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)10-17(2)15(20)16-13(14(18)19)8-9-21-3/h4-7,13H,8-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid?
4-methoxy-2-[[methyl-[(4-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 4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62480404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).