methyl (3S)-morpholine-3-carboxylate;hydrochloride

C6H12ClNO3 — CID 42614245

IUPACmethyl (3S)-morpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1COCCN1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-10-3-2-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyNSWULSIFJKMWPM-JEDNCBNOSA-N
MW181.62 g/mol
LogP-0.43
Rot. Bonds1

About methyl (3S)-morpholine-3-carboxylate;hydrochloride

methyl (3S)-morpholine-3-carboxylate;hydrochloride (PubChem CID 42614245) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is methyl (3S)-morpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-morpholine-3-carboxylate;hydrochloride
PubChem CID42614245
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namemethyl (3S)-morpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1COCCN1.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-10-3-2-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyNSWULSIFJKMWPM-JEDNCBNOSA-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

Analyze methyl (3S)-morpholine-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-morpholine-3-carboxylate
CID 46839508
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332
trimethylsilylmethyl (3R)-morpholine-3-carboxylate
CID 124636413
ethane;morpholine-3-carboxylic acid
CID 144576497
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
1-morpholin-3-ylpropan-1-one
CID 54487560
N-methylsulfonylmorpholine-3-carboxamide
CID 103287575
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-morpholine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S)-morpholine-3-carboxylate;hydrochloride (CID 42614245) is methyl (3S)-morpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S)-morpholine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S)-morpholine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1COCCN1.Cl.
What is the InChIKey of methyl (3S)-morpholine-3-carboxylate;hydrochloride?
The InChIKey is NSWULSIFJKMWPM-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-9-6(8)5-4-10-3-2-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of methyl (3S)-morpholine-3-carboxylate;hydrochloride?
methyl (3S)-morpholine-3-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 (3S)-morpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 42614245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).