2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

C14H24N2O3 — CID 55158944

IUPAC2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCN(C(=O)C2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeySJFQXYUBQDEHBG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid

2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 55158944) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID55158944
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCN(C(=O)C2CCCCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeySJFQXYUBQDEHBG-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 55158944) is 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is CN(C)C1CCN(C(=O)C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is SJFQXYUBQDEHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(2)10-7-8-16(9-10)13(17)11-5-3-4-6-12(11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55158944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).