1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C10H19NO2 — CID 83483096

IUPAC1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CC1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)7-10(9,8(12)13)5-6-11(3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyGWLAYFQEGUHWOV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid

1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 83483096) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID83483096
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CC1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)7-10(9,8(12)13)5-6-11(3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyGWLAYFQEGUHWOV-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 90979267
[1-[2-(dimethylamino)ethyl]cyclopropyl]methanol
CID 130950587
1,2-diethyl-2-methylcyclopropane-1-carboxylic acid
CID 21319578
methyl 3-[2-(dimethylamino)ethyl]-3-methyloxirane-2-carboxylate
CID 165447672
(1S)-1-hydroxy-2,2-dimethylcyclopropane-1-carboxylic acid
CID 10909599
1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227256
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
1-[(3S)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone
CID 125472670
1-[(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethyl-2H-indol-5-yl]ethanone
CID 125472667
N,N-dimethyl-2-(1-methylcyclobutyl)ethanamine;ethane
CID 144987666
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 83483096) is 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CN(C)CCC1(C(=O)O)CC1(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is GWLAYFQEGUHWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)7-10(9,8(12)13)5-6-11(3)4/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83483096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).