3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

C13H26N2O3 — CID 65266474

IUPAC3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCC(C)N(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(18)14-13(5,6)12(3,4)10(16)17/h9H,8H2,1-7H3,(H,14,18)(H,16,17)
InChIKeyCGXJPXLXDCJWJH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds5

About 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid

3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65266474) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
PubChem CID65266474
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
SMILESCCC(C)N(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(18)14-13(5,6)12(3,4)10(16)17/h9H,8H2,1-7H3,(H,14,18)(H,16,17)
InChIKeyCGXJPXLXDCJWJH-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
2-[[butan-2-yl(methyl)carbamoyl]amino]-2-phenylpropanoic acid
CID 62489409
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
1-butan-2-yl-1,3-dimethylurea
CID 87182460
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662982
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594

Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid (CID 65266474) is 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is CCC(C)N(C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is CGXJPXLXDCJWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8-9(2)15(7)11(18)14-13(5,6)12(3,4)10(16)17/h9H,8H2,1-7H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid?
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).