2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid

C13H18N2O2 — CID 114991932

IUPAC2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCN(Cc1ccccn1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,10-6-7-10)15(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyHAPLJJMXRNSTML-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds5

About 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid

2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid (PubChem CID 114991932) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
PubChem CID114991932
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCN(Cc1ccccn1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H18N2O2/c1-13(12(16)17,10-6-7-10)15(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyHAPLJJMXRNSTML-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanoic acid
CID 62270659
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
3,3-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 66453800

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid (CID 114991932) is 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid is CN(Cc1ccccn1)C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid?
The InChIKey is HAPLJJMXRNSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(12(16)17,10-6-7-10)15(2)9-11-5-3-4-8-14-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid?
2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 114991932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).