2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid

C11H23NO2 — CID 79407225

IUPAC2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
SMILESCCCC(C)N(C)C(C)C(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-8(2)12(5)10(4)9(3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyKINBWRRVNPDVEE-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid

2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid (PubChem CID 79407225) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
PubChem CID79407225
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
SMILESCCCC(C)N(C)C(C)C(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-8(2)12(5)10(4)9(3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyKINBWRRVNPDVEE-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
CID 43572314
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
(2S)-3-(aminomethyl)-2-methylhexanoic acid
CID 54232273
3-[ethoxycarbonyl(methyl)amino]-2-methylbutanoic acid
CID 175073944
CID 159174397
CID 159174397
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
2-(1-aminobutyl)-3-methylbutanedioic acid
CID 88698723
3-[bis(2-methylpropyl)amino]-2-methylbutanoic acid
CID 79406985
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
3-(dimethylamino)-2-propan-2-ylhexanoic acid
CID 116913148
2-[[methyl(propan-2-yl)amino]methyl]pentanoic acid
CID 54475032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid (CID 79407225) is 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid is CCCC(C)N(C)C(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid?
The InChIKey is KINBWRRVNPDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-8(2)12(5)10(4)9(3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid?
2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid is sourced from PubChem (CID 79407225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).