phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate

C13H17NO3 — CID 95358432

IUPACphenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)Oc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C13H17NO3/c1-10-8-14(9-11(2)16-10)13(15)17-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyPTZWHEMTSKTUAG-QWRGUYRKSA-N
MW235.28 g/mol
LogP2.29
Rot. Bonds1

About phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate

phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate (PubChem CID 95358432) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Namephenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
PubChem CID95358432
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namephenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)Oc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C13H17NO3/c1-10-8-14(9-11(2)16-10)13(15)17-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyPTZWHEMTSKTUAG-QWRGUYRKSA-N
XLogP2.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
2-(1-phenoxycarbonylazetidin-3-yl)acetic acid
CID 64617419
phenyl 4-(3-methoxypropyl)-3,5-dimethylpiperazine-1-carboxylate
CID 110413023
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
phenyl 4-(6-fluoro-2-pyridinyl)-3,5-dimethylpiperazine-1-carboxylate
CID 155227602
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528

Frequently Asked Questions

What is the IUPAC name of phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate?
The IUPAC name of phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate (CID 95358432) is phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate?
The canonical SMILES for phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate is C[C@H]1CN(C(=O)Oc2ccccc2)C[C@H](C)O1.
What is the InChIKey of phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate?
The InChIKey is PTZWHEMTSKTUAG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-8-14(9-11(2)16-10)13(15)17-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate?
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 95358432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).