(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H19NO3 — CID 67775431

IUPAC(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C1CCCCC1
InChIInChI=1S/C11H19NO3/c13-9-6-10(11(14)15)12(7-9)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyBTMDZJACOXZUJR-ZJUUUORDSA-N
MW213.28 g/mol
LogP0.84
Rot. Bonds2

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

(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 67775431) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID67775431
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C1CCCCC1
InChIInChI=1S/C11H19NO3/c13-9-6-10(11(14)15)12(7-9)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyBTMDZJACOXZUJR-ZJUUUORDSA-N
XLogP0.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-hydroxy-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67774938
4-hydroxy-1-(3-methylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 114351561
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2R,4R)-1-(4-aminocyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 162453191
(2R,4S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 174738513
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 67775431) is (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C1CCCCC1.
What is the InChIKey of (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BTMDZJACOXZUJR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO3/c13-9-6-10(11(14)15)12(7-9)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67775431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).