2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid

C15H22N2O4 — CID 79791741

IUPAC2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(2,13(18)19)16-14(20)17(3)10-11-6-8-12(21-4)9-7-11/h6-9H,5,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJGISXGUOFBIMKR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.09
Rot. Bonds6

About 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid

2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79791741) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID79791741
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(2,13(18)19)16-14(20)17(3)10-11-6-8-12(21-4)9-7-11/h6-9H,5,10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJGISXGUOFBIMKR-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
3-[3-(2,2-dimethylpropyl)cyclobutyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 164979958
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid (CID 79791741) is 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(C)Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is JGISXGUOFBIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-15(2,13(18)19)16-14(20)17(3)10-11-6-8-12(21-4)9-7-11/h6-9H,5,10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid?
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79791741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).