ethyl pyrrolidine-3-carboxylate;hydrochloride

C7H14ClNO2 — CID 12896003

IUPACethyl pyrrolidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKeyAYYKCALHTPKNOI-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds2

About ethyl pyrrolidine-3-carboxylate;hydrochloride

ethyl pyrrolidine-3-carboxylate;hydrochloride (PubChem CID 12896003) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is ethyl pyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl pyrrolidine-3-carboxylate;hydrochloride
PubChem CID12896003
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameethyl pyrrolidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCNC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChIKeyAYYKCALHTPKNOI-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-oxopyrrolidine-3-carboxylate
CID 12699000
Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
3,4-diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
CID 13172076
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
Ethyl pyrrolidine-3-carboxylate
CID 12896002
Methyl pyrrolidine-3-carboxylate hydrochloride
CID 19261352
tert-Butyl pyrrolidine-3-carboxylate
CID 22394392
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
methyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 46907954

Frequently Asked Questions

What is the IUPAC name of ethyl pyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl pyrrolidine-3-carboxylate;hydrochloride (CID 12896003) is ethyl pyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl pyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl pyrrolidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCNC1.Cl.
What is the InChIKey of ethyl pyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is AYYKCALHTPKNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of ethyl pyrrolidine-3-carboxylate;hydrochloride?
ethyl pyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 12896003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).