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

C7H14ClNO3 — CID 139011769

IUPACmethyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(CO)CCCN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-6(10)7(5-9)3-2-4-8-7;/h8-9H,2-5H2,1H3;1H
InChIKeyLQHOIFRUDYUPEU-UHFFFAOYSA-N
MW195.65 g/mol
LogP-0.30
Rot. Bonds2

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

methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 139011769) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID139011769
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(CO)CCCN1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-11-6(10)7(5-9)3-2-4-8-7;/h8-9H,2-5H2,1H3;1H
InChIKeyLQHOIFRUDYUPEU-UHFFFAOYSA-N
XLogP-0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride (CID 139011769) is methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride is COC(=O)C1(CO)CCCN1.Cl.
What is the InChIKey of methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is LQHOIFRUDYUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-11-6(10)7(5-9)3-2-4-8-7;/h8-9H,2-5H2,1H3;1H.
What are the key properties of methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride?
methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 139011769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).