4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid

C13H26N2O3 — CID 114101324

IUPAC4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
SMILESCC(C)C(C)(C)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)13(3,4)9-14-12(18)15(5)8-6-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyBJBMXOAJGUQDOC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds7

About 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid

4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid (PubChem CID 114101324) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
PubChem CID114101324
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
SMILESCC(C)C(C)(C)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-10(2)13(3,4)9-14-12(18)15(5)8-6-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyBJBMXOAJGUQDOC-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
4-[methyl(2-methylbutan-2-yloxycarbonyl)amino]butanoic acid
CID 143613180
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid (CID 114101324) is 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid is CC(C)C(C)(C)CNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid?
The InChIKey is BJBMXOAJGUQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)13(3,4)9-14-12(18)15(5)8-6-7-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid?
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 114101324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).