(3S)-morpholine-3-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 42614332

IUPAC(3S)-morpholine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1COCCN1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)4-3-9-2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyCWSLARZELUGARZ-WCCKRBBISA-N
MW167.59 g/mol
LogP-0.52
Rot. Bonds1

About (3S)-morpholine-3-carboxylic acid;hydrochloride

(3S)-morpholine-3-carboxylic acid;hydrochloride (PubChem CID 42614332) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (3S)-morpholine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-morpholine-3-carboxylic acid;hydrochloride
PubChem CID42614332
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(3S)-morpholine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1COCCN1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)4-3-9-2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyCWSLARZELUGARZ-WCCKRBBISA-N
XLogP-0.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;morpholine-3-carboxylic acid
CID 144576497
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
1-morpholin-3-ylpropan-1-one
CID 54487560
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
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(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
morpholin-3-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370424
N-methylsulfonylmorpholine-3-carboxamide
CID 103287575
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576

Frequently Asked Questions

What is the IUPAC name of (3S)-morpholine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3S)-morpholine-3-carboxylic acid;hydrochloride (CID 42614332) is (3S)-morpholine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S)-morpholine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3S)-morpholine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1COCCN1.
What is the InChIKey of (3S)-morpholine-3-carboxylic acid;hydrochloride?
The InChIKey is CWSLARZELUGARZ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c7-5(8)4-3-9-2-1-6-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (3S)-morpholine-3-carboxylic acid;hydrochloride?
(3S)-morpholine-3-carboxylic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-morpholine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 42614332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).