methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride

C8H16ClNO3 — CID 122164387

IUPACmethyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOCC1(C(=O)OC)CCCN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h9H,3-6H2,1-2H3;1H
InChIKeyFATRPFCOIZOYNX-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.35
Rot. Bonds3

About methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride

methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 122164387) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID122164387
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOCC1(C(=O)OC)CCCN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h9H,3-6H2,1-2H3;1H
InChIKeyFATRPFCOIZOYNX-UHFFFAOYSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 57516455
Methyl 2-methylpyrrolidine-2-carboxylate
CID 13595679
Tert-butyl 2-methylpyrrolidine-2-carboxylate
CID 13822996
Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
methyl (2R)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 71306205
Methyl 2-methylpyrrolidine-2-carboxylate hydrochloride
CID 75366841
Methyl 4,4-difluoro-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 137996188
Methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate hydrochloride
CID 139011769
Methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate hydrochloride
CID 155821412
rac-methyl (2R,4R)-4-methylpyrrolidine-2-carboxylate hydrochloride
CID 155982346
(S)-Methyl 2-methylpyrrolidine-2-carboxylate
CID 10535362
Methyl 4,4-dimethylpyrrolidine-2-carboxylate hydrochloride
CID 22235310

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride (CID 122164387) is methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride is COCC1(C(=O)OC)CCCN1.Cl.
What is the InChIKey of methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is FATRPFCOIZOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-11-6-8(7(10)12-2)4-3-5-9-8;/h9H,3-6H2,1-2H3;1H.
What are the key properties of methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 122164387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).