(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C12H21NO3 — CID 138487412

IUPAC(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1[C@@H](CO)CC[C@H]1C1CCCCC1
InChIInChI=1S/C12H21NO3/c14-8-10-6-7-11(13(10)12(15)16)9-4-2-1-3-5-9/h9-11,14H,1-8H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyJQBZUEJOFITOGW-MNOVXSKESA-N
MW227.30 g/mol
LogP2.07
Rot. Bonds2

About (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 138487412) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID138487412
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1[C@@H](CO)CC[C@H]1C1CCCCC1
InChIInChI=1S/C12H21NO3/c14-8-10-6-7-11(13(10)12(15)16)9-4-2-1-3-5-9/h9-11,14H,1-8H2,(H,15,16)/t10-,11+/m1/s1
InChIKeyJQBZUEJOFITOGW-MNOVXSKESA-N
XLogP2.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trifluoromethyl (2S,3aS,7aS)-2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 134966129
2-(4,4-Difluorocyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 66900266
Ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293
2-(2-Amino-3-cyclohexyl-1-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 19887777
[1-tert-butoxycarbonyl-(2S)-octahydroindolyl]methanol
CID 20737787
Tert-butyl 5-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 21100503
Tert-butyl 2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 23512401
2-(5-Hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid
CID 24737760
tert-butyl (2S,5R)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-1-carboxylate
CID 58779075
Tert-butyl-[4-(hydroxymethyl)cyclohexyl]carbamic acid
CID 66660370
(1S,3R,5S)-1-tert-butyl-3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66973153
(1R,3R,5R)-1-tert-butyl-3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 66973371

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 138487412) is (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1[C@@H](CO)CC[C@H]1C1CCCCC1.
What is the InChIKey of (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is JQBZUEJOFITOGW-MNOVXSKESA-N. The full InChI is InChI=1S/C12H21NO3/c14-8-10-6-7-11(13(10)12(15)16)9-4-2-1-3-5-9/h9-11,14H,1-8H2,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-cyclohexyl-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138487412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).