(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H17NO4 — CID 79000761

IUPAC(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)C1CC=CCC1
InChIInChI=1S/C12H17NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10,14H,3-7H2,(H,16,17)/t8?,9-,10-/m1/s1
InChIKeyXBMMMASLFBKALH-VXRWAFEHSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds2

About (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000761) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000761
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)C1CC=CCC1
InChIInChI=1S/C12H17NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10,14H,3-7H2,(H,16,17)/t8?,9-,10-/m1/s1
InChIKeyXBMMMASLFBKALH-VXRWAFEHSA-N
XLogP0.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-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

(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S,4S)-4-hydroxy-1-[(3R)-piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 81134398
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80593854
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192599
(2S,4R)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192354
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000761) is (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)C1CC=CCC1.
What is the InChIKey of (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XBMMMASLFBKALH-VXRWAFEHSA-N. The full InChI is InChI=1S/C12H17NO4/c14-9-6-10(12(16)17)13(7-9)11(15)8-4-2-1-3-5-8/h1-2,8-10,14H,3-7H2,(H,16,17)/t8?,9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).