2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid

C13H25NO3 — CID 65261594

IUPAC2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-7-8-9(2)10(15)14-13(5,6)12(3,4)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyQZJTXGKONGEJIR-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds6

About 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid

2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid (PubChem CID 65261594) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
PubChem CID65261594
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-7-8-9(2)10(15)14-13(5,6)12(3,4)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyQZJTXGKONGEJIR-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2,2,3-trimethyl-3-(octan-4-ylcarbamoylamino)butanoic acid
CID 106020545
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
N'-tert-butyl-2-methylpentanehydrazide
CID 172682852
3-[[butan-2-yl(methyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266474
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-methylpentanehydrazide
CID 43183484
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
3-[3-(ethylamino)butanoylamino]-2,2,3-trimethylbutanoic acid
CID 65265611
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid (CID 65261594) is 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid is CCCC(C)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid?
The InChIKey is QZJTXGKONGEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-8-9(2)10(15)14-13(5,6)12(3,4)11(16)17/h9H,7-8H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid?
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.43, 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-(2-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 65261594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).