3-methyl-4-[methyl(pentyl)amino]butanoic acid

C11H23NO2 — CID 115220106

IUPAC3-methyl-4-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)CC(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-12(3)9-10(2)8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeySFZLNHQEMLEYJG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds8

About 3-methyl-4-[methyl(pentyl)amino]butanoic acid

3-methyl-4-[methyl(pentyl)amino]butanoic acid (PubChem CID 115220106) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-4-[methyl(pentyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[methyl(pentyl)amino]butanoic acid
PubChem CID115220106
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-4-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)CC(C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-12(3)9-10(2)8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeySFZLNHQEMLEYJG-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyloctanoic acid
CID 5312327
3-[methyl(pentyl)amino]butanoic acid
CID 43537465
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
2-[hexyl(methyl)amino]acetic acid
CID 10197909
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
CID 155195867
CID 155195867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(pentyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[methyl(pentyl)amino]butanoic acid (CID 115220106) is 3-methyl-4-[methyl(pentyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[methyl(pentyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[methyl(pentyl)amino]butanoic acid is CCCCCN(C)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[methyl(pentyl)amino]butanoic acid?
The InChIKey is SFZLNHQEMLEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-7-12(3)9-10(2)8-11(13)14/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-4-[methyl(pentyl)amino]butanoic acid?
3-methyl-4-[methyl(pentyl)amino]butanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(pentyl)amino]butanoic acid is sourced from PubChem (CID 115220106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).