ethyl 4-methoxypyrrolidine-2-carboxylate

C8H15NO3 — CID 43119085

IUPACethyl 4-methoxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(OC)CN1
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7-4-6(11-2)5-9-7/h6-7,9H,3-5H2,1-2H3
InChIKeyDBBNCHOEDJWSEU-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About ethyl 4-methoxypyrrolidine-2-carboxylate

ethyl 4-methoxypyrrolidine-2-carboxylate (PubChem CID 43119085) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxypyrrolidine-2-carboxylate
PubChem CID43119085
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 4-methoxypyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(OC)CN1
InChIInChI=1S/C8H15NO3/c1-3-12-8(10)7-4-6(11-2)5-9-7/h6-7,9H,3-5H2,1-2H3
InChIKeyDBBNCHOEDJWSEU-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxyethyl 4-methoxypyrrolidine-2-carboxylate
CID 61278622
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
CID 61151115
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
ethyl 4-ethylpyrrolidine-2-carboxylate;hydrochloride
CID 42614259
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-2-carboxylate
CID 131844507
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61278026
ethyl 4-tert-butylpyrrolidine-2-carboxylate
CID 172520224

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of ethyl 4-methoxypyrrolidine-2-carboxylate (CID 43119085) is ethyl 4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 4-methoxypyrrolidine-2-carboxylate is CCOC(=O)C1CC(OC)CN1.
What is the InChIKey of ethyl 4-methoxypyrrolidine-2-carboxylate?
The InChIKey is DBBNCHOEDJWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-12-8(10)7-4-6(11-2)5-9-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of ethyl 4-methoxypyrrolidine-2-carboxylate?
ethyl 4-methoxypyrrolidine-2-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 43119085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).