3-[methyl(pentyl)amino]butanoic acid

C10H21NO2 — CID 43537465

IUPAC3-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)C(C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-11(3)9(2)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyIZBLLVCXUXQBIA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.97
Rot. Bonds7

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

3-[methyl(pentyl)amino]butanoic acid (PubChem CID 43537465) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]butanoic acid
PubChem CID43537465
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[methyl(pentyl)amino]butanoic acid
SMILESCCCCCN(C)C(C)CC(=O)O
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-11(3)9(2)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyIZBLLVCXUXQBIA-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.97
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-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
3-[di(icosyl)amino]butanoic acid
CID 101313989
3-(dioctylamino)butanoic acid
CID 101313450
2-[dodecyl(methyl)amino]propanoic acid;2-hydroxybutanedioic acid
CID 174596527
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
3-methyl-4-[methyl(pentyl)amino]butanoic acid
CID 115220106
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
(2R)-3-methyl-2-[methyl(undecyl)amino]butanoic acid
CID 154125332
3-[methyl(2-methylpropyl)amino]butanoic acid
CID 43537457
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
4-[dodecyl(methyl)amino]-3-hydroxy-4-oxobutanoic acid
CID 139889658

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]butanoic acid?
The IUPAC name of 3-[methyl(pentyl)amino]butanoic acid (CID 43537465) is 3-[methyl(pentyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl(pentyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl(pentyl)amino]butanoic acid is CCCCCN(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl(pentyl)amino]butanoic acid?
The InChIKey is IZBLLVCXUXQBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-11(3)9(2)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-[methyl(pentyl)amino]butanoic acid?
3-[methyl(pentyl)amino]butanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)amino]butanoic acid is sourced from PubChem (CID 43537465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).