3-[methyl(3-methylbutyl)amino]pentanoic acid

C11H23NO2 — CID 63074034

IUPAC3-[methyl(3-methylbutyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-10(8-11(13)14)12(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyMGEKZXIPCFSGIH-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds7

About 3-[methyl(3-methylbutyl)amino]pentanoic acid

3-[methyl(3-methylbutyl)amino]pentanoic acid (PubChem CID 63074034) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[methyl(3-methylbutyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[methyl(3-methylbutyl)amino]pentanoic acid
PubChem CID63074034
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[methyl(3-methylbutyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)CCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-10(8-11(13)14)12(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyMGEKZXIPCFSGIH-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
3-[methyl(2-methylsulfonylethyl)amino]pentanoic acid
CID 79858971
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
3-[1-cyclopropylethyl(methyl)amino]pentanoic acid
CID 63069500
3-(dimethylamino)hexanoic acid
CID 64527574
3-[acetyl(butyl)amino]pentanoic acid
CID 87789164
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutyl)amino]pentanoic acid?
The IUPAC name of 3-[methyl(3-methylbutyl)amino]pentanoic acid (CID 63074034) is 3-[methyl(3-methylbutyl)amino]pentanoic acid.
What is the SMILES notation for 3-[methyl(3-methylbutyl)amino]pentanoic acid?
The canonical SMILES for 3-[methyl(3-methylbutyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)CCC(C)C.
What is the InChIKey of 3-[methyl(3-methylbutyl)amino]pentanoic acid?
The InChIKey is MGEKZXIPCFSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-10(8-11(13)14)12(4)7-6-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[methyl(3-methylbutyl)amino]pentanoic acid?
3-[methyl(3-methylbutyl)amino]pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutyl)amino]pentanoic acid is sourced from PubChem (CID 63074034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).