(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid

C12H21NO2 — CID 150074786

IUPAC(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)O
InChIInChI=1S/C12H21NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyDQALEDUWIJTSSG-MNOVXSKESA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds2

About (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid

(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 150074786) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid
PubChem CID150074786
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)O
InChIInChI=1S/C12H21NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyDQALEDUWIJTSSG-MNOVXSKESA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid (CID 150074786) is (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid is CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DQALEDUWIJTSSG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-8-10(7-11(13)12(14)15)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid?
(2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-cyclohexyl-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 150074786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).