methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate

C9H16N2O4 — CID 78927141

IUPACmethyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)N(C)C)CCO1
InChIInChI=1S/C9H16N2O4/c1-10(2)9(13)11-4-5-15-7(6-11)8(12)14-3/h7H,4-6H2,1-3H3
InChIKeyBSZZOMHJFZNLEH-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.46
Rot. Bonds1

About methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate

methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate (PubChem CID 78927141) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
PubChem CID78927141
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)N(C)C)CCO1
InChIInChI=1S/C9H16N2O4/c1-10(2)9(13)11-4-5-15-7(6-11)8(12)14-3/h7H,4-6H2,1-3H3
InChIKeyBSZZOMHJFZNLEH-UHFFFAOYSA-N
XLogP-0.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957
methyl 4-(3-amino-2-methyl-3-sulfanylidenepropanoyl)morpholine-2-carboxylate
CID 113330530
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
CID 79209422
(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid
CID 174215532
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate (CID 78927141) is methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)N(C)C)CCO1.
What is the InChIKey of methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate?
The InChIKey is BSZZOMHJFZNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10(2)9(13)11-4-5-15-7(6-11)8(12)14-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate?
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of -0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate is sourced from PubChem (CID 78927141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).