methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate

C9H17NO2 — CID 126995651

IUPACmethyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
SMILESCCN1CCC(C(=O)OC)C1C
InChIInChI=1S/C9H17NO2/c1-4-10-6-5-8(7(10)2)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyYNFHOGOFSCWSCZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate

methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate (PubChem CID 126995651) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
PubChem CID126995651
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
SMILESCCN1CCC(C(=O)OC)C1C
InChIInChI=1S/C9H17NO2/c1-4-10-6-5-8(7(10)2)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyYNFHOGOFSCWSCZ-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
CID 120857753
methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
CID 130605326
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
3-O-methyl 1-O-(2-methylbutan-2-yl) (2S,3S)-2-methylpyrrolidine-1,3-dicarboxylate
CID 155109216
methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidine-3-carboxylate;hydrochloride
CID 120905407
1-heptyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371042
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369030
1-(3-ethylsulfonylpropyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372121
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl 1-ethyl-3-methylaziridine-2-carboxylate
CID 45090005

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate (CID 126995651) is methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate is CCN1CCC(C(=O)OC)C1C.
What is the InChIKey of methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate?
The InChIKey is YNFHOGOFSCWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-10-6-5-8(7(10)2)9(11)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate?
methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 126995651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).