2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate

C10H17NO5 — CID 115536113

IUPAC2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)C)CCO1
InChIInChI=1S/C10H17NO5/c1-7(2)16-10(13)11-4-5-15-8(6-11)9(12)14-3/h7-8H,4-6H2,1-3H3
InChIKeyLPEDISDKTHOYCY-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.41
Rot. Bonds2

About 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate

2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate (PubChem CID 115536113) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
PubChem CID115536113
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)C)CCO1
InChIInChI=1S/C10H17NO5/c1-7(2)16-10(13)11-4-5-15-8(6-11)9(12)14-3/h7-8H,4-6H2,1-3H3
InChIKeyLPEDISDKTHOYCY-UHFFFAOYSA-N
XLogP0.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
CID 113330530
2-O-methyl 4-O-(2,2,2-trifluoroethyl) morpholine-2,4-dicarboxylate
CID 78927150
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367

Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate?
The IUPAC name of 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate (CID 115536113) is 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate?
The canonical SMILES for 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate is COC(=O)C1CN(C(=O)OC(C)C)CCO1.
What is the InChIKey of 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate?
The InChIKey is LPEDISDKTHOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(2)16-10(13)11-4-5-15-8(6-11)9(12)14-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate?
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate is sourced from PubChem (CID 115536113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).