2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate

C12H21NO5 — CID 113330714

IUPAC2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
SMILESCOC(=O)CC1CN(C(=O)OCC(C)C)CCO1
InChIInChI=1S/C12H21NO5/c1-9(2)8-18-12(15)13-4-5-17-10(7-13)6-11(14)16-3/h9-10H,4-8H2,1-3H3
InChIKeyWEIWSAAYZQAUDN-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.04
Rot. Bonds4

About 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate

2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate (PubChem CID 113330714) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
PubChem CID113330714
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
SMILESCOC(=O)CC1CN(C(=O)OCC(C)C)CCO1
InChIInChI=1S/C12H21NO5/c1-9(2)8-18-12(15)13-4-5-17-10(7-13)6-11(14)16-3/h9-10H,4-8H2,1-3H3
InChIKeyWEIWSAAYZQAUDN-UHFFFAOYSA-N
XLogP1.04
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2,3-dimethylbutanoyl)morpholin-2-yl]acetate
CID 79806421
methyl 2-[4-(2-carbamothioyl-3-methylbutanoyl)morpholin-2-yl]acetate
CID 115534739
methyl 2-[4-(2-bromobutanoyl)morpholin-2-yl]acetate
CID 115534261
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
methyl 2-[4-(1-carbamothioylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 115534737
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate?
The IUPAC name of 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate (CID 113330714) is 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate is COC(=O)CC1CN(C(=O)OCC(C)C)CCO1.
What is the InChIKey of 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate?
The InChIKey is WEIWSAAYZQAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-9(2)8-18-12(15)13-4-5-17-10(7-13)6-11(14)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate?
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate is sourced from PubChem (CID 113330714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).