ethyl 1-methylpyrrolidine-3-carboxylate

C8H15NO2 — CID 21202735

IUPACethyl 1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-4-5-9(2)6-7/h7H,3-6H2,1-2H3
InChIKeyDHWKOWPDAGMVOD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds2

About ethyl 1-methylpyrrolidine-3-carboxylate

ethyl 1-methylpyrrolidine-3-carboxylate (PubChem CID 21202735) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methylpyrrolidine-3-carboxylate
PubChem CID21202735
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 1-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(C)C1
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-4-5-9(2)6-7/h7H,3-6H2,1-2H3
InChIKeyDHWKOWPDAGMVOD-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(iodomethyl)pyrrolidine-3-carboxylate
CID 151996318
ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
CID 175556675
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-methylpyrrolidine-3-carboxylate (CID 21202735) is ethyl 1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-methylpyrrolidine-3-carboxylate is CCOC(=O)C1CCN(C)C1.
What is the InChIKey of ethyl 1-methylpyrrolidine-3-carboxylate?
The InChIKey is DHWKOWPDAGMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-8(10)7-4-5-9(2)6-7/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 1-methylpyrrolidine-3-carboxylate?
ethyl 1-methylpyrrolidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 21202735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).