methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate

C17H22N2O5 — CID 124845359

IUPACmethyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)C[C@@H](C)O1
InChIInChI=1S/C17H22N2O5/c1-11-8-19(9-15(24-11)16(20)22-2)17(21)18-13-7-12-5-3-4-6-14(12)23-10-13/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,21)/t11-,13+,15-/m1/s1
InChIKeyHMADETGKFBXPFQ-OSAQELSMSA-N
MW334.37 g/mol
LogP0.96
Rot. Bonds2

About methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate

methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate (PubChem CID 124845359) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
PubChem CID124845359
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)C[C@@H](C)O1
InChIInChI=1S/C17H22N2O5/c1-11-8-19(9-15(24-11)16(20)22-2)17(21)18-13-7-12-5-3-4-6-14(12)23-10-13/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,21)/t11-,13+,15-/m1/s1
InChIKeyHMADETGKFBXPFQ-OSAQELSMSA-N
XLogP0.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate (CID 124845359) is methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate is COC(=O)[C@H]1CN(C(=O)N[C@@H]2COc3ccccc3C2)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is HMADETGKFBXPFQ-OSAQELSMSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-8-19(9-15(24-11)16(20)22-2)17(21)18-13-7-12-5-3-4-6-14(12)23-10-13/h3-6,11,13,15H,7-10H2,1-2H3,(H,18,21)/t11-,13+,15-/m1/s1.
What are the key properties of methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 124845359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).