methyl morpholine-2-carboxylate;hydrochloride

C6H12ClNO3 — CID 50988571

IUPACmethyl morpholine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCO1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-7-2-3-10-5;/h5,7H,2-4H2,1H3;1H
InChIKeyDYMNXWIUMADROW-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.43
Rot. Bonds1

About methyl morpholine-2-carboxylate;hydrochloride

methyl morpholine-2-carboxylate;hydrochloride (PubChem CID 50988571) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl morpholine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl morpholine-2-carboxylate;hydrochloride
PubChem CID50988571
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl morpholine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCCO1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-7-2-3-10-5;/h5,7H,2-4H2,1H3;1H
InChIKeyDYMNXWIUMADROW-UHFFFAOYSA-N
XLogP-0.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl morpholine-2-carboxylate;hydrochloride?
The IUPAC name of methyl morpholine-2-carboxylate;hydrochloride (CID 50988571) is methyl morpholine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl morpholine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl morpholine-2-carboxylate;hydrochloride is COC(=O)C1CNCCO1.Cl.
What is the InChIKey of methyl morpholine-2-carboxylate;hydrochloride?
The InChIKey is DYMNXWIUMADROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-7-2-3-10-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of methyl morpholine-2-carboxylate;hydrochloride?
methyl morpholine-2-carboxylate;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl morpholine-2-carboxylate;hydrochloride is sourced from PubChem (CID 50988571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).