3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

C12H18N2O2 — CID 63067935

IUPAC3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-11(7-12(15)16)14(2)9-10-5-4-6-13-8-10/h4-6,8,11H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyRGJLLDUYBQUPOX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.77
Rot. Bonds6

About 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid

3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (PubChem CID 63067935) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
PubChem CID63067935
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)N(C)Cc1cccnc1
InChIInChI=1S/C12H18N2O2/c1-3-11(7-12(15)16)14(2)9-10-5-4-6-13-8-10/h4-6,8,11H,3,7,9H2,1-2H3,(H,15,16)
InChIKeyRGJLLDUYBQUPOX-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
2-[methyl(pyridin-3-ylmethyl)amino]propanehydrazide
CID 63571441
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
3-[ethyl(methyl)amino]pentanoic acid
CID 63067557
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
1-N-ethyl-3-N-methyl-3-N-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 62431967
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid (CID 63067935) is 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is CCC(CC(=O)O)N(C)Cc1cccnc1.
What is the InChIKey of 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
The InChIKey is RGJLLDUYBQUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-11(7-12(15)16)14(2)9-10-5-4-6-13-8-10/h4-6,8,11H,3,7,9H2,1-2H3,(H,15,16).
What are the key properties of 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid?
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 63067935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).