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

C15H26N2O3 — CID 62884899

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-16(2)10-11-6-5-9-17(11)14(18)12-7-3-4-8-13(12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyBGOWFJSSPLXQSK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds4

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

2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 62884899) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID62884899
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC1CCCN1C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-16(2)10-11-6-5-9-17(11)14(18)12-7-3-4-8-13(12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyBGOWFJSSPLXQSK-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 62884899) is 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is CN(C)CC1CCCN1C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is BGOWFJSSPLXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16(2)10-11-6-5-9-17(11)14(18)12-7-3-4-8-13(12)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62884899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).