methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate

C9H16N2O4 — CID 116657408

IUPACmethyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
SMILESCCNC(=O)C1COCCN1C(=O)OC
InChIInChI=1S/C9H16N2O4/c1-3-10-8(12)7-6-15-5-4-11(7)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyAWFJTUWLODZZFR-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.41
Rot. Bonds2

About methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate

methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate (PubChem CID 116657408) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
PubChem CID116657408
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
SMILESCCNC(=O)C1COCCN1C(=O)OC
InChIInChI=1S/C9H16N2O4/c1-3-10-8(12)7-6-15-5-4-11(7)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyAWFJTUWLODZZFR-UHFFFAOYSA-N
XLogP-0.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
3-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]-2-methoxypropanoic acid
CID 106110427
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate?
The IUPAC name of methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate (CID 116657408) is methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate.
What is the SMILES notation for methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate?
The canonical SMILES for methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate is CCNC(=O)C1COCCN1C(=O)OC.
What is the InChIKey of methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate?
The InChIKey is AWFJTUWLODZZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-10-8(12)7-6-15-5-4-11(7)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate?
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate has a molecular weight of 216.24 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate is sourced from PubChem (CID 116657408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).