2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid

C14H20N2O2 — CID 114990051

IUPAC2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid
SMILESCN(CCc1ccncc1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,12-3-4-12)16(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyGLFRGPYNFIDVEQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds6

About 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid

2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid (PubChem CID 114990051) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid
PubChem CID114990051
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid
SMILESCN(CCc1ccncc1)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18,12-3-4-12)16(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyGLFRGPYNFIDVEQ-UHFFFAOYSA-N
XLogP1.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[methyl(propyl)amino]propanoic acid
CID 114988948
2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114987675
2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 114991932
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
2-[cyclobutylmethyl(methyl)amino]-2-pyridin-4-ylpropanoic acid
CID 114996489
2-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]butanoic acid
CID 114990218
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid (CID 114990051) is 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid is CN(CCc1ccncc1)C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid?
The InChIKey is GLFRGPYNFIDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(13(17)18,12-3-4-12)16(2)10-7-11-5-8-15-9-6-11/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid?
2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid is sourced from PubChem (CID 114990051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).