methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate

C10H20N2O2 — CID 21341738

IUPACmethyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCNCCC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C10H20N2O2/c1-11-5-4-8-6-9(10(13)14-3)12(2)7-8/h8-9,11H,4-7H2,1-3H3
InChIKeyIPTVMEKHICVBSV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds4

About methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate

methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 21341738) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID21341738
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCNCCC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C10H20N2O2/c1-11-5-4-8-6-9(10(13)14-3)12(2)7-8/h8-9,11H,4-7H2,1-3H3
InChIKeyIPTVMEKHICVBSV-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Leucine-proline anhydride
CID 57275499
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 5,5-dimethylpyrrolidine-2-carboxylate hydrochloride
CID 85847873
rac-methyl (2R,4R)-4-methylpyrrolidine-2-carboxylate hydrochloride
CID 155982346
3-Propylproline
CID 131514
Methyl (S)-2-amino-3-((S)-2-oxopyrrolidin-3-yl)propanoate
CID 11844233
Methyl 3-methylpyrrolidine-2-carboxylate
CID 14959565
Methyl 2-propylpyrrolidine-2-carboxylate
CID 77884787
Methyl 3-methylpyrrolidine-2-carboxylate hydrochloride
CID 85810691
methyl (2S,4R)-4-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylate hydrochloride
CID 145874249

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate (CID 21341738) is methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate is CNCCC1CC(C(=O)OC)N(C)C1.
What is the InChIKey of methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is IPTVMEKHICVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-5-4-8-6-9(10(13)14-3)12(2)7-8/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate?
methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 21341738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).