methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate

C12H22N2O2 — CID 115103188

IUPACmethyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)C2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-14-7-4-10(9-14)8-12(11(15)16-2)5-3-6-13-12/h10,13H,3-9H2,1-2H3
InChIKeyBZEPAYQQKWHYLQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate

methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 115103188) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID115103188
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)C2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-14-7-4-10(9-14)8-12(11(15)16-2)5-3-6-13-12/h10,13H,3-9H2,1-2H3
InChIKeyBZEPAYQQKWHYLQ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 115103287
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
methyl 3-(cyclopropylmethyl)-1,4-oxazepane-3-carboxylate
CID 105466761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate (CID 115103188) is methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1(CC2CCN(C)C2)CCCN1.
What is the InChIKey of methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is BZEPAYQQKWHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-7-4-10(9-14)8-12(11(15)16-2)5-3-6-13-12/h10,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate?
methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).