2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate

C12H23NO3 — CID 3046844

IUPAC2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
SMILESCN(C)CCOC(=O)C1(O)CCCCCC1
InChIInChI=1S/C12H23NO3/c1-13(2)9-10-16-11(14)12(15)7-5-3-4-6-8-12/h15H,3-10H2,1-2H3
InChIKeyOQFJRLGCJUCVQG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds4

About 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate

2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate (PubChem CID 3046844) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
PubChem CID3046844
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
SMILESCN(C)CCOC(=O)C1(O)CCCCCC1
InChIInChI=1S/C12H23NO3/c1-13(2)9-10-16-11(14)12(15)7-5-3-4-6-8-12/h15H,3-10H2,1-2H3
InChIKeyOQFJRLGCJUCVQG-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
CID 146470372
3-(1-hydroxycyclopentanecarbonyl)oxypropyl 1-hydroxycyclopentane-1-carboxylate
CID 71895783
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046846
2-(dimethylamino)ethyl 1-phenylcyclopentane-1-carboxylate chloride
CID 53312763
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 98097063
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
[4-[(1-hydroxycyclohexanecarbonyl)oxymethyl]phenyl]methyl 1-hydroxycyclohexane-1-carboxylate
CID 46574800
2-[2-(dimethylamino)ethyl-methylamino]ethyl 1-phenylcyclopentane-1-carboxylate
CID 25066162
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
CID 45114073
2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605
[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039897
bis[2-(dimethylamino)ethyl] adamantane-1,3-dicarboxylate dichloride
CID 21205610

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate (CID 3046844) is 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate is CN(C)CCOC(=O)C1(O)CCCCCC1.
What is the InChIKey of 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate?
The InChIKey is OQFJRLGCJUCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(2)9-10-16-11(14)12(15)7-5-3-4-6-8-12/h15H,3-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate?
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate is sourced from PubChem (CID 3046844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).