[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate

C17H23NO6 — CID 8729718

IUPAC[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CCCO2)cc1OC
InChIInChI=1S/C17H23NO6/c1-11(24-17(20)14-5-4-8-23-14)16(19)18-10-12-6-7-13(21-2)15(9-12)22-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyQWTXMEXPHPYTAX-BXUZGUMPSA-N
MW337.37 g/mol
LogP1.43
Rot. Bonds7

About [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate

[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate (PubChem CID 8729718) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
PubChem CID8729718
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CCCO2)cc1OC
InChIInChI=1S/C17H23NO6/c1-11(24-17(20)14-5-4-8-23-14)16(19)18-10-12-6-7-13(21-2)15(9-12)22-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyQWTXMEXPHPYTAX-BXUZGUMPSA-N
XLogP1.43
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8730078
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 55416557
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302215
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575816
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8887738
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 9061428
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-pent-2-enoate
CID 9063287
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8617140
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
CID 43246848

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The IUPAC name of [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate (CID 8729718) is [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate.
What is the SMILES notation for [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The canonical SMILES for [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate is COc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2CCCO2)cc1OC.
What is the InChIKey of [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
The InChIKey is QWTXMEXPHPYTAX-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H23NO6/c1-11(24-17(20)14-5-4-8-23-14)16(19)18-10-12-6-7-13(21-2)15(9-12)22-3/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,18,19)/t11-,14-/m1/s1.
What are the key properties of [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate?
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate has a molecular weight of 337.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 8729718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).