2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid

C12H24N2O3 — CID 64599223

IUPAC2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(C)CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(3)7-13-11(17)14(6)12(4,5)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyCUVMWUSMOBLSIX-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds5

About 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid

2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 64599223) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID64599223
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(C)C(C)CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(3)7-13-11(17)14(6)12(4,5)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyCUVMWUSMOBLSIX-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-[(propylcarbamoyl)amino]propanoic acid
CID 16790848
(S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
CID 2026390
(2S)-2-(tert-Butylaminocarbonylamino)-3,3-dimethylbutanoic acid
CID 23659740
N-Isopropylaminocarbonyl-L-valin
CID 2009025
N-(tert-Butylcarbamoyl)-L-valine
CID 28508763
N-((Methylamino)carbonyl)-L-valine
CID 30077188
N-[(tert-butylamino)carbonyl]-3-methylvaline
CID 43468023
Ethylaminocarbonyl-l-valine
CID 30080197
Carbonylbis-l-valine
CID 92157531
2-[Ethyl(3,3,3-trifluoropropylcarbamoyl)amino]-2-methylpropanoic acid
CID 55175338
2-Methyl-2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227955
2-[2,3-Dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid (CID 64599223) is 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid is CC(C)C(C)CNC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is CUVMWUSMOBLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)9(3)7-13-11(17)14(6)12(4,5)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 64599223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).