carbonic acid;4-methylmorpholine

C6H13NO4 — CID 173323214

IUPACcarbonic acid;4-methylmorpholine
SMILESCN1CCOCC1.O=C(O)O
InChIInChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4)
InChIKeyDWZCFXPEGWXKEL-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.17
Rot. Bonds

About carbonic acid;4-methylmorpholine

carbonic acid;4-methylmorpholine (PubChem CID 173323214) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is carbonic acid;4-methylmorpholine.

Molecular Properties

Compound Namecarbonic acid;4-methylmorpholine
PubChem CID173323214
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Namecarbonic acid;4-methylmorpholine
SMILESCN1CCOCC1.O=C(O)O
InChIInChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4)
InChIKeyDWZCFXPEGWXKEL-UHFFFAOYSA-N
XLogP0.17
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineacetic acid
CID 438968
Morpholine, 4-methyl-, acetate (1:1)
CID 44149666
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
4-Morpholineethanol, 4-acetate
CID 21872598
Methyl morpholine-4-carboxylate
CID 12575354
1-Morpholinoethanol
CID 3029376
Morpholine-4-carboxylic Acid
CID 9833960
N-methylmorpholine water
CID 21899746
n-Ethylmorpholine acetate
CID 22472381
(Morpholin-4-yl)methyl acetate
CID 73708
2-(4-Methylmorpholin-4-ium-4-yl)acetic acid
CID 5249655
(2-Oxo-morpholin-4-yl)-acetic acid
CID 1415538

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-methylmorpholine?
The IUPAC name of carbonic acid;4-methylmorpholine (CID 173323214) is carbonic acid;4-methylmorpholine.
What is the SMILES notation for carbonic acid;4-methylmorpholine?
The canonical SMILES for carbonic acid;4-methylmorpholine is CN1CCOCC1.O=C(O)O.
What is the InChIKey of carbonic acid;4-methylmorpholine?
The InChIKey is DWZCFXPEGWXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH2O3/c1-6-2-4-7-5-3-6;2-1(3)4/h2-5H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-methylmorpholine?
carbonic acid;4-methylmorpholine has a molecular weight of 163.17 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-methylmorpholine is sourced from PubChem (CID 173323214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).