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

C12H16ClNO3 — CID 46839500

IUPACbenzyl (3S)-morpholine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)[C@@H]1COCCN1
InChIInChI=1S/C12H15NO3.ClH/c14-12(11-9-15-7-6-13-11)16-8-10-4-2-1-3-5-10;/h1-5,11,13H,6-9H2;1H/t11-;/m0./s1
InChIKeyCVKABBHCEVSVII-MERQFXBCSA-N
MW257.72 g/mol
LogP1.14
Rot. Bonds3

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

benzyl (3S)-morpholine-3-carboxylate;hydrochloride (PubChem CID 46839500) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is benzyl (3S)-morpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (3S)-morpholine-3-carboxylate;hydrochloride
PubChem CID46839500
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namebenzyl (3S)-morpholine-3-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)[C@@H]1COCCN1
InChIInChI=1S/C12H15NO3.ClH/c14-12(11-9-15-7-6-13-11)16-8-10-4-2-1-3-5-10;/h1-5,11,13H,6-9H2;1H/t11-;/m0./s1
InChIKeyCVKABBHCEVSVII-MERQFXBCSA-N
XLogP1.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (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

benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
morpholin-3-yl-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119697027
benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
CID 70055979
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 119801822
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-morpholine-3-carboxylate;hydrochloride?
The IUPAC name of benzyl (3S)-morpholine-3-carboxylate;hydrochloride (CID 46839500) is benzyl (3S)-morpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (3S)-morpholine-3-carboxylate;hydrochloride?
The canonical SMILES for benzyl (3S)-morpholine-3-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)[C@@H]1COCCN1.
What is the InChIKey of benzyl (3S)-morpholine-3-carboxylate;hydrochloride?
The InChIKey is CVKABBHCEVSVII-MERQFXBCSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-12(11-9-15-7-6-13-11)16-8-10-4-2-1-3-5-10;/h1-5,11,13H,6-9H2;1H/t11-;/m0./s1.
What are the key properties of benzyl (3S)-morpholine-3-carboxylate;hydrochloride?
benzyl (3S)-morpholine-3-carboxylate;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-morpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 46839500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).