2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid

C13H18N2O2 — CID 114991937

IUPAC2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
SMILESCN(CC1CC1)C(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,11-5-3-4-8-14-11)15(2)9-10-6-7-10/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyQJUGDEOAJCNUTM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds5

About 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid

2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid (PubChem CID 114991937) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
PubChem CID114991937
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
SMILESCN(CC1CC1)C(C)(C(=O)O)c1ccccn1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,11-5-3-4-8-14-11)15(2)9-10-6-7-10/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyQJUGDEOAJCNUTM-UHFFFAOYSA-N
XLogP1.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid (CID 114991937) is 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid is CN(CC1CC1)C(C)(C(=O)O)c1ccccn1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid?
The InChIKey is QJUGDEOAJCNUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(12(16)17,11-5-3-4-8-14-11)15(2)9-10-6-7-10/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid?
2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 114991937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).