ethyl (2R,3S)-2-methylmorpholine-3-carboxylate

C8H15NO3 — CID 90001541

IUPACethyl (2R,3S)-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-3-11-8(10)7-6(2)12-5-4-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyJPPFRBDSMPJHKR-RQJHMYQMSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds2

About ethyl (2R,3S)-2-methylmorpholine-3-carboxylate

ethyl (2R,3S)-2-methylmorpholine-3-carboxylate (PubChem CID 90001541) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2R,3S)-2-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-methylmorpholine-3-carboxylate
PubChem CID90001541
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2R,3S)-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-3-11-8(10)7-6(2)12-5-4-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyJPPFRBDSMPJHKR-RQJHMYQMSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
ethyl 4-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 120926267
ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate
CID 118409555
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
CID 120922192
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928414
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-methylmorpholine-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-2-methylmorpholine-3-carboxylate (CID 90001541) is ethyl (2R,3S)-2-methylmorpholine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-2-methylmorpholine-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-2-methylmorpholine-3-carboxylate is CCOC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of ethyl (2R,3S)-2-methylmorpholine-3-carboxylate?
The InChIKey is JPPFRBDSMPJHKR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-11-8(10)7-6(2)12-5-4-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of ethyl (2R,3S)-2-methylmorpholine-3-carboxylate?
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-methylmorpholine-3-carboxylate is sourced from PubChem (CID 90001541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).