(2S)-morpholine-2-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 56845341

IUPAC(2S)-morpholine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CNCCO1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)4-3-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyXLKJUXXMBJDEBH-WCCKRBBISA-N
MW167.59 g/mol
LogP-0.52
Rot. Bonds1

About (2S)-morpholine-2-carboxylic acid;hydrochloride

(2S)-morpholine-2-carboxylic acid;hydrochloride (PubChem CID 56845341) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (2S)-morpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-morpholine-2-carboxylic acid;hydrochloride
PubChem CID56845341
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(2S)-morpholine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CNCCO1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)4-3-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyXLKJUXXMBJDEBH-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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Frequently Asked Questions

What is the IUPAC name of (2S)-morpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-morpholine-2-carboxylic acid;hydrochloride (CID 56845341) is (2S)-morpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-morpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-morpholine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-morpholine-2-carboxylic acid;hydrochloride?
The InChIKey is XLKJUXXMBJDEBH-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c7-5(8)4-3-6-1-2-9-4;/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-morpholine-2-carboxylic acid;hydrochloride?
(2S)-morpholine-2-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 (2S)-morpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 56845341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).