methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate

C9H17NO2 — CID 21341753

IUPACmethyl 4-ethyl-1-methylpyrrolidine-2-carboxylate
SMILESCCC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3
InChIKeyOMZMKRRNWUSSRC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate

methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate (PubChem CID 21341753) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-1-methylpyrrolidine-2-carboxylate
PubChem CID21341753
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 4-ethyl-1-methylpyrrolidine-2-carboxylate
SMILESCCC1CC(C(=O)OC)N(C)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3
InChIKeyOMZMKRRNWUSSRC-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

4-Propyl hygric acid
CID 22798271
methyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 10584701
methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 167396040
tert-butyl (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
CID 115537188
methyl (4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134861852
methyl (2S,3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134862802
Hexyl 1,1-dimethylpyrrolidin-1-ium-2-carboxylate chloride
CID 86010353
(4R)-1-Methyl-4-propyl-L-proline--hydrogen chloride (1/1)
CID 22802137
1-O-tert-butyl 2-O-methyl (2S,4S,5S)-4,5-dimethylpyrrolidine-1,2-dicarboxylate
CID 24776738
Methyl (2S)-1-ethylpyrrolidine-2-carboxylate
CID 40634411
N-methyl-4-propylproline
CID 70627408
trans-N-methyl-4-propyl-d-proline
CID 124464529

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate (CID 21341753) is methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate is CCC1CC(C(=O)OC)N(C)C1.
What is the InChIKey of methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate?
The InChIKey is OMZMKRRNWUSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-5-8(9(11)12-3)10(2)6-7/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 4-ethyl-1-methylpyrrolidine-2-carboxylate?
methyl 4-ethyl-1-methylpyrrolidine-2-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 4-ethyl-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 21341753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).