tert-butyl morpholine-3-carboxylate;hydrochloride

C9H18ClNO3 — CID 46839515

IUPACtert-butyl morpholine-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1COCCN1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-9(2,3)13-8(11)7-6-12-5-4-10-7;/h7,10H,4-6H2,1-3H3;1H
InChIKeyCXIPHBGVDHHYRC-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.74
Rot. Bonds1

About tert-butyl morpholine-3-carboxylate;hydrochloride

tert-butyl morpholine-3-carboxylate;hydrochloride (PubChem CID 46839515) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is tert-butyl morpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl morpholine-3-carboxylate;hydrochloride
PubChem CID46839515
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Nametert-butyl morpholine-3-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1COCCN1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-9(2,3)13-8(11)7-6-12-5-4-10-7;/h7,10H,4-6H2,1-3H3;1H
InChIKeyCXIPHBGVDHHYRC-UHFFFAOYSA-N
XLogP0.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl morpholine-3-carboxylate;hydrochloride?
The IUPAC name of tert-butyl morpholine-3-carboxylate;hydrochloride (CID 46839515) is tert-butyl morpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl morpholine-3-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl morpholine-3-carboxylate;hydrochloride is CC(C)(C)OC(=O)C1COCCN1.Cl.
What is the InChIKey of tert-butyl morpholine-3-carboxylate;hydrochloride?
The InChIKey is CXIPHBGVDHHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-9(2,3)13-8(11)7-6-12-5-4-10-7;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of tert-butyl morpholine-3-carboxylate;hydrochloride?
tert-butyl morpholine-3-carboxylate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl morpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 46839515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).