methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate

C11H20N2O2 — CID 115103287

IUPACmethyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN2)CCCN1
InChIInChI=1S/C11H20N2O2/c1-15-10(14)11(5-3-7-13-11)8-9-4-2-6-12-9/h9,12-13H,2-8H2,1H3
InChIKeyXNIBVFNGDNMJJW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate

methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 115103287) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID115103287
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN2)CCCN1
InChIInChI=1S/C11H20N2O2/c1-15-10(14)11(5-3-7-13-11)8-9-4-2-6-12-9/h9,12-13H,2-8H2,1H3
InChIKeyXNIBVFNGDNMJJW-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 69341147
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685
methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate
CID 88978022
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
methyl 3-(cyclopropylmethyl)-1,4-oxazepane-3-carboxylate
CID 105466761
2-(methoxymethyl)-2-(piperidin-2-ylmethyl)piperidine
CID 117272019
[2-(pyrrolidin-2-ylmethyl)piperidin-2-yl]methanol
CID 115103630

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate (CID 115103287) is methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1(CC2CCCN2)CCCN1.
What is the InChIKey of methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is XNIBVFNGDNMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-10(14)11(5-3-7-13-11)8-9-4-2-6-12-9/h9,12-13H,2-8H2,1H3.
What are the key properties of methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate?
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).