2,2-dimorpholin-4-ylacetic acid

C10H18N2O4 — CID 12864794

IUPAC2,2-dimorpholin-4-ylacetic acid
SMILESO=C(O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14)
InChIKeyMQRGYZOIAQKSMC-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.94
Rot. Bonds3

About 2,2-dimorpholin-4-ylacetic acid

2,2-dimorpholin-4-ylacetic acid (PubChem CID 12864794) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2,2-dimorpholin-4-ylacetic acid.

Molecular Properties

Compound Name2,2-dimorpholin-4-ylacetic acid
PubChem CID12864794
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2,2-dimorpholin-4-ylacetic acid
SMILESO=C(O)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14)
InChIKeyMQRGYZOIAQKSMC-UHFFFAOYSA-N
XLogP-0.94
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Tricarbethoxymethylhexahydro-1,3,5-triazine
CID 10497707
2-(4-Methylmorpholin-4-ium-4-yl)ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate
CID 3053868
2-Morpholin-4-ylethyl 2-morpholin-4-ylacetate
CID 12496761
2,2-Dimorpholin-4-ylacetic acid;morpholine
CID 12864795
Methyl 2,2-dimorpholinoacetate
CID 14087944
tert-Butyl 2,2-dimorpholinoacetate
CID 15819192
1,1-Dimorpholin-4-ylethyl hydrogen carbonate
CID 18944447
2-[2,2-Bis(2,6-dioxomorpholin-4-yl)ethyl-ethylamino]acetic acid
CID 19105709
4-[(2,6-Dioxomorpholin-4-yl)methyl]morpholine-2,6-dione
CID 21035581
4-[2-[2-(2,6-Dioxomorpholin-4-yl)ethoxy]ethyl]morpholine-2,6-dione
CID 21520814
2,2-Dimorpholin-4-ylacetate
CID 22557659
2,2-Dimorpholin-4-ylethyl hydrogen carbonate
CID 23221016

Frequently Asked Questions

What is the IUPAC name of 2,2-dimorpholin-4-ylacetic acid?
The IUPAC name of 2,2-dimorpholin-4-ylacetic acid (CID 12864794) is 2,2-dimorpholin-4-ylacetic acid.
What is the SMILES notation for 2,2-dimorpholin-4-ylacetic acid?
The canonical SMILES for 2,2-dimorpholin-4-ylacetic acid is O=C(O)C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2,2-dimorpholin-4-ylacetic acid?
The InChIKey is MQRGYZOIAQKSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-10(14)9(11-1-5-15-6-2-11)12-3-7-16-8-4-12/h9H,1-8H2,(H,13,14).
What are the key properties of 2,2-dimorpholin-4-ylacetic acid?
2,2-dimorpholin-4-ylacetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimorpholin-4-ylacetic acid is sourced from PubChem (CID 12864794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).