2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid

C12H16N2O2 — CID 117042811

IUPAC2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccn1)C1CC1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-14(11-8-10(11)12(15)16)7-5-9-4-2-3-6-13-9/h2-4,6,10-11H,5,7-8H2,1H3,(H,15,16)
InChIKeyNVRKRCQLIAMDGY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.03
Rot. Bonds5

About 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid

2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 117042811) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
PubChem CID117042811
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccn1)C1CC1C(=O)O
InChIInChI=1S/C12H16N2O2/c1-14(11-8-10(11)12(15)16)7-5-9-4-2-3-6-13-9/h2-4,6,10-11H,5,7-8H2,1H3,(H,15,16)
InChIKeyNVRKRCQLIAMDGY-UHFFFAOYSA-N
XLogP1.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
N-methyl-4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66267541
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid (CID 117042811) is 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid is CN(CCc1ccccn1)C1CC1C(=O)O.
What is the InChIKey of 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is NVRKRCQLIAMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(11-8-10(11)12(15)16)7-5-9-4-2-3-6-13-9/h2-4,6,10-11H,5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid?
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).