2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid

C14H28N2O3 — CID 65265849

IUPAC2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-8-10(2)9-16(7)12(19)15-14(5,6)13(3,4)11(17)18/h10H,8-9H2,1-7H3,(H,15,19)(H,17,18)
InChIKeyWLTMBVIUCFRLMZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds6

About 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid

2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid (PubChem CID 65265849) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
PubChem CID65265849
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-8-10(2)9-16(7)12(19)15-14(5,6)13(3,4)11(17)18/h10H,8-9H2,1-7H3,(H,15,19)(H,17,18)
InChIKeyWLTMBVIUCFRLMZ-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43296183
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
CID 64711907
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid (CID 65265849) is 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid is CCC(C)CN(C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid?
The InChIKey is WLTMBVIUCFRLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-8-10(2)9-16(7)12(19)15-14(5,6)13(3,4)11(17)18/h10H,8-9H2,1-7H3,(H,15,19)(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 65265849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).