ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate

C15H26N2O4 — CID 120926267

IUPACethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C15H26N2O4/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-10(2)21-9-8-16-13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t10-,11?,12?,13+/m1/s1
InChIKeyCVOFMIBTUBOHQJ-XVSSEFHLSA-N
MW298.38 g/mol
LogP0.60
Rot. Bonds4

About ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate

ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 120926267) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID120926267
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C15H26N2O4/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-10(2)21-9-8-16-13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t10-,11?,12?,13+/m1/s1
InChIKeyCVOFMIBTUBOHQJ-XVSSEFHLSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
ethyl 4-(pyrrolidine-2-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119297431
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-2-methyl-N-(1-propylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 120922485
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 120926267) is ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is CVOFMIBTUBOHQJ-XVSSEFHLSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-20-15(19)11-4-6-12(7-5-11)17-14(18)13-10(2)21-9-8-16-13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t10-,11?,12?,13+/m1/s1.
What are the key properties of ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate?
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 120926267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).