2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid

C11H21NO3 — CID 115910241

IUPAC2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
SMILESCC(C)CC(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)6-9(13)12-11(5,8(3)4)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyBZBDZDXJVMIZGX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds5

About 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid

2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid (PubChem CID 115910241) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
PubChem CID115910241
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
SMILESCC(C)CC(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)6-9(13)12-11(5,8(3)4)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyBZBDZDXJVMIZGX-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 115910220
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
2-formamido-2,3-dimethylbutanoic acid
CID 63688185
N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 60967814
N-(2-isocyanopropan-2-yl)-3-methylbutanamide
CID 88849340
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
2-(4-bromophenyl)-2-(3-methylbutanoylamino)propanoic acid
CID 166317487
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 115910203
3-methylbutanoic acid
CID 20849036
2-(hexa-2,4-dienoylamino)-2,3-dimethylbutanoic acid
CID 103925867

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid (CID 115910241) is 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid is CC(C)CC(=O)NC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid?
The InChIKey is BZBDZDXJVMIZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)6-9(13)12-11(5,8(3)4)10(14)15/h7-8H,6H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid?
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid is sourced from PubChem (CID 115910241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).