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

C11H23NO2 — CID 43572314

IUPAC3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
SMILESCCCC(C)N(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-9(4)12(5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyWYOGFPYROFAUPH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds6

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

3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid (PubChem CID 43572314) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
PubChem CID43572314
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid
SMILESCCCC(C)N(C)C(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO2/c1-6-7-9(4)12(5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyWYOGFPYROFAUPH-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

2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
CID 79407225
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
2-[1-cyclopropylethyl(methyl)amino]-3-methylbutanoic acid
CID 43569337
3-(dimethylamino)-2-propan-2-ylhexanoic acid
CID 116913148
2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
CID 61425240
ethane;2-propan-2-ylpentanoic acid
CID 175540570
CID 159174397
CID 159174397
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid (CID 43572314) is 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid is CCCC(C)N(C)C(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid?
The InChIKey is WYOGFPYROFAUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-9(4)12(5)10(8(2)3)11(13)14/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid?
3-methyl-2-[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 3-methyl-2-[methyl(pentan-2-yl)amino]butanoic acid is sourced from PubChem (CID 43572314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).