(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 119031949

IUPAC(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride
SMILESC[C@H]1CN[C@@H](C(=O)O)CO1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-4-2-7-5(3-10-4)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyMXADEJLMYVKMKS-UYXJWNHNSA-N
MW181.62 g/mol
LogP-0.13
Rot. Bonds1

About (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride

(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride (PubChem CID 119031949) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride
PubChem CID119031949
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride
SMILESC[C@H]1CN[C@@H](C(=O)O)CO1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-4-2-7-5(3-10-4)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H/t4-,5+;/m0./s1
InChIKeyMXADEJLMYVKMKS-UYXJWNHNSA-N
XLogP-0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride (CID 119031949) is (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride is C[C@H]1CN[C@@H](C(=O)O)CO1.Cl.
What is the InChIKey of (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride?
The InChIKey is MXADEJLMYVKMKS-UYXJWNHNSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-4-2-7-5(3-10-4)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H/t4-,5+;/m0./s1.
What are the key properties of (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride?
(3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methylmorpholine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119031949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).