methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate

C13H21NO4 — CID 112531508

IUPACmethyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C13H21NO4/c1-18-13(17)11-3-2-8-14(11)12(16)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3
InChIKeyIDOJADZLLUGRJL-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.70
Rot. Bonds2

About methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate

methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 112531508) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID112531508
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCC(O)CC1
InChIInChI=1S/C13H21NO4/c1-18-13(17)11-3-2-8-14(11)12(16)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3
InChIKeyIDOJADZLLUGRJL-UHFFFAOYSA-N
XLogP0.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
CID 81463255
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate (CID 112531508) is methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CCC(O)CC1.
What is the InChIKey of methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is IDOJADZLLUGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-13(17)11-3-2-8-14(11)12(16)9-4-6-10(15)7-5-9/h9-11,15H,2-8H2,1H3.
What are the key properties of methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate?
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112531508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).