methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride

C9H16ClNO4 — CID 53410499

IUPACmethyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
SMILESCCC(=O)OC1CNC(C(=O)OC)C1.Cl
InChIInChI=1S/C9H15NO4.ClH/c1-3-8(11)14-6-4-7(10-5-6)9(12)13-2;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyWUBOLELHORDRIB-UHFFFAOYSA-N
MW237.68 g/mol
LogP0.26
Rot. Bonds3

About methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride

methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 53410499) has the molecular formula C9H16ClNO4 and a molecular weight of 237.68 g/mol. Its IUPAC name is methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID53410499
Molecular FormulaC9H16ClNO4
Molecular Weight237.68 g/mol
Exact Mass237.08
IUPAC Namemethyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
SMILESCCC(=O)OC1CNC(C(=O)OC)C1.Cl
InChIInChI=1S/C9H15NO4.ClH/c1-3-8(11)14-6-4-7(10-5-6)9(12)13-2;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyWUBOLELHORDRIB-UHFFFAOYSA-N
XLogP0.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride (CID 53410499) is methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride is CCC(=O)OC1CNC(C(=O)OC)C1.Cl.
What is the InChIKey of methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is WUBOLELHORDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4.ClH/c1-3-8(11)14-6-4-7(10-5-6)9(12)13-2;/h6-7,10H,3-5H2,1-2H3;1H.
What are the key properties of methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride?
methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 53410499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).