4-ethylmorpholine-2-carboxylate

C7H12NO3- — CID 127053688

IUPAC4-ethylmorpholine-2-carboxylate
SMILESCCN1CCOC(C(=O)[O-])C1
InChIInChI=1S/C7H13NO3/c1-2-8-3-4-11-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1
InChIKeyZWKAACPJQCCKND-UHFFFAOYSA-M
MW158.18 g/mol
LogP-1.54
Rot. Bonds2

About 4-ethylmorpholine-2-carboxylate

4-ethylmorpholine-2-carboxylate (PubChem CID 127053688) has the molecular formula C7H12NO3- and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-ethylmorpholine-2-carboxylate.

Molecular Properties

Compound Name4-ethylmorpholine-2-carboxylate
PubChem CID127053688
Molecular FormulaC7H12NO3-
Molecular Weight158.18 g/mol
Exact Mass158.08
IUPAC Name4-ethylmorpholine-2-carboxylate
SMILESCCN1CCOC(C(=O)[O-])C1
InChIInChI=1S/C7H13NO3/c1-2-8-3-4-11-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1
InChIKeyZWKAACPJQCCKND-UHFFFAOYSA-M
XLogP-1.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
4-ethyl-N-[2-(ethylamino)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119507639
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine-2-carboxylate?
The IUPAC name of 4-ethylmorpholine-2-carboxylate (CID 127053688) is 4-ethylmorpholine-2-carboxylate.
What is the SMILES notation for 4-ethylmorpholine-2-carboxylate?
The canonical SMILES for 4-ethylmorpholine-2-carboxylate is CCN1CCOC(C(=O)[O-])C1.
What is the InChIKey of 4-ethylmorpholine-2-carboxylate?
The InChIKey is ZWKAACPJQCCKND-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO3/c1-2-8-3-4-11-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1.
What are the key properties of 4-ethylmorpholine-2-carboxylate?
4-ethylmorpholine-2-carboxylate has a molecular weight of 158.18 g/mol, XLogP of -1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine-2-carboxylate is sourced from PubChem (CID 127053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).