dimethyl 2-morpholin-4-ylbutanedioate

C10H17NO5 — CID 4897155

IUPACdimethyl 2-morpholin-4-ylbutanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3
InChIKeyARVIASYJDUUECD-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.58
Rot. Bonds4

About dimethyl 2-morpholin-4-ylbutanedioate

dimethyl 2-morpholin-4-ylbutanedioate (PubChem CID 4897155) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl 2-morpholin-4-ylbutanedioate.

Molecular Properties

Compound Namedimethyl 2-morpholin-4-ylbutanedioate
PubChem CID4897155
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl 2-morpholin-4-ylbutanedioate
SMILESCOC(=O)CC(C(=O)OC)N1CCOCC1
InChIInChI=1S/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3
InChIKeyARVIASYJDUUECD-UHFFFAOYSA-N
XLogP-0.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
4-Ethoxy-4-oxo-3-piperidin-1-ylbutanoic acid
CID 661641
Triethyl 2-morpholino-1,1,2-ethanetricarboxylate
CID 3812720
2-Piperidin-1-yl-succinic acid dipentyl ester
CID 9549527
Dimethyl 2-(4-(ethoxycarbonyl)piperazin-1-yl)succinate
CID 16462813
Dimethyl 2-(4-methylpiperazin-1-yl)butanedioate
CID 4896716
L,D-morpholinosuccinic acid
CID 12615272
Methyl 3-Morpholinobutanoate
CID 15095655
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428
1-Piperidinesuccinic acid, dimethyl ester
CID 140050
4-(2-Methoxyethoxy)-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3161128
Dimethyl 2,3-dimorpholin-4-ylbutanedioate
CID 2824790

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-morpholin-4-ylbutanedioate?
The IUPAC name of dimethyl 2-morpholin-4-ylbutanedioate (CID 4897155) is dimethyl 2-morpholin-4-ylbutanedioate.
What is the SMILES notation for dimethyl 2-morpholin-4-ylbutanedioate?
The canonical SMILES for dimethyl 2-morpholin-4-ylbutanedioate is COC(=O)CC(C(=O)OC)N1CCOCC1.
What is the InChIKey of dimethyl 2-morpholin-4-ylbutanedioate?
The InChIKey is ARVIASYJDUUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-morpholin-4-ylbutanedioate?
dimethyl 2-morpholin-4-ylbutanedioate has a molecular weight of 231.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-morpholin-4-ylbutanedioate is sourced from PubChem (CID 4897155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).