methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate

C17H30N2O5 — CID 124851088

IUPACmethyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C[C@@H](C)O1
InChIInChI=1S/C17H30N2O5/c1-11(2)8-14-13(6-5-7-23-14)18-17(21)19-9-12(3)24-15(10-19)16(20)22-4/h11-15H,5-10H2,1-4H3,(H,18,21)/t12-,13-,14-,15-/m1/s1
InChIKeyRTWSALQONHOWEV-KBUPBQIOSA-N
MW342.44 g/mol
LogP1.55
Rot. Bonds4

About methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate

methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate (PubChem CID 124851088) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate
PubChem CID124851088
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Namemethyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C[C@@H](C)O1
InChIInChI=1S/C17H30N2O5/c1-11(2)8-14-13(6-5-7-23-14)18-17(21)19-9-12(3)24-15(10-19)16(20)22-4/h11-15H,5-10H2,1-4H3,(H,18,21)/t12-,13-,14-,15-/m1/s1
InChIKeyRTWSALQONHOWEV-KBUPBQIOSA-N
XLogP1.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate with MolForge

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Related Compounds

3-[[2-(2-methylpropyl)oxan-3-yl]carbamoylamino]propanoic acid
CID 122010680
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
1-[(2S,3S)-2-(2-methylpropyl)oxan-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129471752
methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
CID 124845359
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
1-methyl-N-[2-(2-methylpropyl)oxan-3-yl]-2-oxopyridine-3-carboxamide
CID 136532633
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
1-cyclopentyl-N-[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]pyrazole-3-carboxamide
CID 99786412
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
CID 124735104
methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
CID 124828879

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate (CID 124851088) is methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate?
The InChIKey is RTWSALQONHOWEV-KBUPBQIOSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(2)8-14-13(6-5-7-23-14)18-17(21)19-9-12(3)24-15(10-19)16(20)22-4/h11-15H,5-10H2,1-4H3,(H,18,21)/t12-,13-,14-,15-/m1/s1.
What are the key properties of methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate?
methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate is sourced from PubChem (CID 124851088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).