(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid

C12H19NO4 — CID 25215052

IUPAC(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O[C@H]1CN[C@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13-10)17-12(16)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyFMQPTGWRJLRBGI-ZJUUUORDSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds3

About (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid (PubChem CID 25215052) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
PubChem CID25215052
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O[C@H]1CN[C@H](C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13-10)17-12(16)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyFMQPTGWRJLRBGI-ZJUUUORDSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4R)-3-(3-boronopropyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 148175638
(2S,3S,4R)-3-(3-boronopropyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 155793148
methyl (2S,3R,5R)-5-cyclohexyl-3-hydroxypyrrolidine-2-carboxylate
CID 134963671
(2S,4R)-4-decanoyloxypyrrolidine-2-carboxylic acid
CID 11958186
Diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate
CID 3017623
(2S,4R)-4-octanoyloxypyrrolidine-2-carboxylic acid
CID 101409475
(2S,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid
CID 101409476
(2S,4R)-4-hexanoyloxypyrrolidine-2-carboxylic acid
CID 101409477
(2S,4R)-4-tetradecanoyloxypyrrolidine-2-carboxylic acid
CID 101409478
(2R,4R)-4-dodecanoyloxypyrrolidine-2-carboxylic acid
CID 177620241
(2R,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
CID 179010087
(2r)-2-Cyclohexyl-2-[(2-ethoxy-2-oxoethyl)amino]ethanoic acid
CID 11447897

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid (CID 25215052) is (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid is O=C(O[C@H]1CN[C@H](C(=O)O)C1)C1CCCCC1.
What is the InChIKey of (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid?
The InChIKey is FMQPTGWRJLRBGI-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(15)10-6-9(7-13-10)17-12(16)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)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 25215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).