methyl 1-methylpyrrolidine-2-carboxylate

C7H13NO2 — CID 529062

IUPACmethyl 1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C
InChIInChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyWBXUFOSSZLFNPQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About methyl 1-methylpyrrolidine-2-carboxylate

methyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 529062) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methylpyrrolidine-2-carboxylate
PubChem CID529062
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C
InChIInChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyWBXUFOSSZLFNPQ-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
methyl (3S)-2-iodo-1-methyldiazinane-3-carboxylate
CID 142223423
methyl 4-methyl-1,4-diazepane-5-carboxylate
CID 174500451
2,2-dimethylpropanoyl 1-methylpyrrolidine-2-carboxylate
CID 174702557
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 3-(1-methylpyrrolidin-2-yl)but-3-enoate
CID 117268528
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methylpyrrolidine-2-carboxylate (CID 529062) is methyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1C.
What is the InChIKey of methyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is WBXUFOSSZLFNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 1-methylpyrrolidine-2-carboxylate?
methyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 529062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).