(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

C13H21NO3 — CID 122126119

IUPAC(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H21NO3/c1-9-5-2-3-6-10(9)12(15)14-8-4-7-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyOZVDYRPMFGGETJ-ILDUYXDCSA-N
MW239.31 g/mol
LogP1.89
Rot. Bonds2

About (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 122126119) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID122126119
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCCCC1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H21NO3/c1-9-5-2-3-6-10(9)12(15)14-8-4-7-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyOZVDYRPMFGGETJ-ILDUYXDCSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
4-(2-methylcyclopentanecarbonyl)thiomorpholine-3-carboxylic acid
CID 107175886
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103978471
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid (CID 122126119) is (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is CC1CCCCC1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OZVDYRPMFGGETJ-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-5-2-3-6-10(9)12(15)14-8-4-7-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122126119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).