cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

C11H19NO2 — CID 22841328

IUPACcis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyYHTTXJXPVPFXOM-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds2

About cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 22841328) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID22841328
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C11H19NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1
InChIKeyYHTTXJXPVPFXOM-ZJUUUORDSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (CID 22841328) is cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is YHTTXJXPVPFXOM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h9-10H,1-8H2,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 22841328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).