2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid

C11H23NO2 — CID 103265266

IUPAC2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-7(2)9(10(13)14)12-8(3)11(4,5)6/h7-9,12H,1-6H3,(H,13,14)
InChIKeyYEOWMKUZRPTEPL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.12
Rot. Bonds4

About 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid

2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid (PubChem CID 103265266) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
PubChem CID103265266
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
SMILESCC(C)C(NC(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-7(2)9(10(13)14)12-8(3)11(4,5)6/h7-9,12H,1-6H3,(H,13,14)
InChIKeyYEOWMKUZRPTEPL-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
CID 54446615
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-methylbutanoic acid
CID 103265823
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)butanoic acid
CID 64631382
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
(2S)-3-methyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 11579962
3-methyl-2-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264016
2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid (CID 103265266) is 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid is CC(C)C(NC(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid?
The InChIKey is YEOWMKUZRPTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7(2)9(10(13)14)12-8(3)11(4,5)6/h7-9,12H,1-6H3,(H,13,14).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid?
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid is sourced from PubChem (CID 103265266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).