2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid

C11H22N2O3 — CID 62692283

IUPAC2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
SMILESCCC(C)CNC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(2)6-12-11(16)13(4)7-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyGDVQTFDWQNKTOV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.39
Rot. Bonds6

About 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid

2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid (PubChem CID 62692283) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
PubChem CID62692283
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid
SMILESCCC(C)CNC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-8(2)6-12-11(16)13(4)7-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyGDVQTFDWQNKTOV-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
CID 122002162
2-methyl-3-[methyl-[2-(4-methylphenoxy)propylcarbamoyl]amino]propanoic acid
CID 122004108
2-methyl-3-[methyl(2-sulfamoylethylcarbamoyl)amino]propanoic acid
CID 55007854
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
3-[(4-ethoxy-4-oxobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 64575850
3-[[(1R,2R)-2-ethylcyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122013118
2-methyl-3-[methyl-[2-(1-methylcyclopropyl)ethylcarbamoyl]amino]propanoic acid
CID 122012432
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
CID 122009883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid (CID 62692283) is 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid is CCC(C)CNC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid?
The InChIKey is GDVQTFDWQNKTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(2)6-12-11(16)13(4)7-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid?
2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylbutylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62692283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).