2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid

C10H16N2O2 — CID 90820119

IUPAC2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid
SMILESCC1=NCC(C(C(=O)O)N(C)C)=CC1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-8(6-11-7)9(10(13)14)12(2)3/h5,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyYDQPWCXVGBSOMQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds3

About 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid

2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid (PubChem CID 90820119) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid
PubChem CID90820119
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid
SMILESCC1=NCC(C(C(=O)O)N(C)C)=CC1
InChIInChI=1S/C10H16N2O2/c1-7-4-5-8(6-11-7)9(10(13)14)12(2)3/h5,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyYDQPWCXVGBSOMQ-UHFFFAOYSA-N
XLogP0.79
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid (CID 90820119) is 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid is CC1=NCC(C(C(=O)O)N(C)C)=CC1.
What is the InChIKey of 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid?
The InChIKey is YDQPWCXVGBSOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-4-5-8(6-11-7)9(10(13)14)12(2)3/h5,9H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid?
2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid has a molecular weight of 196.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(6-methyl-2,5-dihydropyridin-3-yl)acetic acid is sourced from PubChem (CID 90820119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).