2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 43579840

IUPAC2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)16-8-5-11-17-9-3-4-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyIXSXOAXHLSPWQO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 43579840) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID43579840
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)16-8-5-11-17-9-3-4-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyIXSXOAXHLSPWQO-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-6-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962034
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
6-(4-pyrrolidin-1-ylbutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 82036764
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 43579840) is 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is IXSXOAXHLSPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(12-6-1-2-7-13(12)15(19)20)16-8-5-11-17-9-3-4-10-17/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43579840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).