methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate

C9H18N2O2 — CID 21341745

IUPACmethyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCNCCC1CNC(C(=O)OC)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(11-6-7)9(12)13-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyRJJHURCLNNBTEH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.25
Rot. Bonds4

About methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate

methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 21341745) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID21341745
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCNCCC1CNC(C(=O)OC)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(11-6-7)9(12)13-2/h7-8,10-11H,3-6H2,1-2H3
InChIKeyRJJHURCLNNBTEH-UHFFFAOYSA-N
XLogP-0.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Leucine-proline anhydride
CID 57275499
rac-methyl (1R,5S)-2-azabicyclo(3.1.0)hexane-1-carboxylate
CID 10953607
methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride
CID 11229498
Ethyl 3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 13150528
Methyl 3-(pyrrolidin-3-yl)propanoate hydrochloride
CID 55264396
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
Methyl 6,6-dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxylate hydrochloride
CID 68993955
Methyl 5,5-dimethylpyrrolidine-2-carboxylate hydrochloride
CID 85847873
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579
Methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate hydrochloride
CID 155821412
rac-methyl (2R,4R)-4-methylpyrrolidine-2-carboxylate hydrochloride
CID 155982346

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate (CID 21341745) is methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate is CNCCC1CNC(C(=O)OC)C1.
What is the InChIKey of methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is RJJHURCLNNBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(11-6-7)9(12)13-2/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 21341745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).