morpholin-2-yl hydrogen carbonate

C5H9NO4 — CID 70064874

IUPACmorpholin-2-yl hydrogen carbonate
SMILESO=C(O)OC1CNCCO1
InChIInChI=1S/C5H9NO4/c7-5(8)10-4-3-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)
InChIKeyBJOWZFYEYOZIIX-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.37
Rot. Bonds1

About morpholin-2-yl hydrogen carbonate

morpholin-2-yl hydrogen carbonate (PubChem CID 70064874) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is morpholin-2-yl hydrogen carbonate.

Molecular Properties

Compound Namemorpholin-2-yl hydrogen carbonate
PubChem CID70064874
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namemorpholin-2-yl hydrogen carbonate
SMILESO=C(O)OC1CNCCO1
InChIInChI=1S/C5H9NO4/c7-5(8)10-4-3-6-1-2-9-4/h4,6H,1-3H2,(H,7,8)
InChIKeyBJOWZFYEYOZIIX-UHFFFAOYSA-N
XLogP-0.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-2-yl carbamate
CID 165011060
morpholin-2-yl prop-2-enoate
CID 22497789
morpholin-2-yl 2-methylpent-2-enoate
CID 174849985
morpholin-2-yl formate
CID 91405229
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
ethane;morpholine-2-carboxylic acid
CID 170608685
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
(2R)-morpholine-2-carboxamide
CID 51600069
cyclobutyl morpholine-2-carboxylate
CID 62217575
1-(morpholin-2-ylmethoxy)ethanol;oxalic acid
CID 159817068
morpholine-2-thiol
CID 20573956
ethane;1-morpholin-2-ylethanone
CID 143224838

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl hydrogen carbonate?
The IUPAC name of morpholin-2-yl hydrogen carbonate (CID 70064874) is morpholin-2-yl hydrogen carbonate.
What is the SMILES notation for morpholin-2-yl hydrogen carbonate?
The canonical SMILES for morpholin-2-yl hydrogen carbonate is O=C(O)OC1CNCCO1.
What is the InChIKey of morpholin-2-yl hydrogen carbonate?
The InChIKey is BJOWZFYEYOZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c7-5(8)10-4-3-6-1-2-9-4/h4,6H,1-3H2,(H,7,8).
What are the key properties of morpholin-2-yl hydrogen carbonate?
morpholin-2-yl hydrogen carbonate has a molecular weight of 147.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl hydrogen carbonate is sourced from PubChem (CID 70064874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).