(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide

C15H21BrN2O4 — CID 97225738

IUPAC(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
SMILESCOc1cc(Br)c(CNC[C@@H]2CC[C@H](C(N)=O)O2)cc1OC
InChIInChI=1S/C15H21BrN2O4/c1-20-13-5-9(11(16)6-14(13)21-2)7-18-8-10-3-4-12(22-10)15(17)19/h5-6,10,12,18H,3-4,7-8H2,1-2H3,(H2,17,19)/t10-,12+/m0/s1
InChIKeyWRVBYVLLUBDEOY-CMPLNLGQSA-N
MW373.25 g/mol
LogP1.59
Rot. Bonds7

About (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide

(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide (PubChem CID 97225738) has the molecular formula C15H21BrN2O4 and a molecular weight of 373.25 g/mol. Its IUPAC name is (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
PubChem CID97225738
Molecular FormulaC15H21BrN2O4
Molecular Weight373.25 g/mol
Exact Mass372.07
IUPAC Name(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide
SMILESCOc1cc(Br)c(CNC[C@@H]2CC[C@H](C(N)=O)O2)cc1OC
InChIInChI=1S/C15H21BrN2O4/c1-20-13-5-9(11(16)6-14(13)21-2)7-18-8-10-3-4-12(22-10)15(17)19/h5-6,10,12,18H,3-4,7-8H2,1-2H3,(H2,17,19)/t10-,12+/m0/s1
InChIKeyWRVBYVLLUBDEOY-CMPLNLGQSA-N
XLogP1.59
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide (CID 97225738) is (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide is COc1cc(Br)c(CNC[C@@H]2CC[C@H](C(N)=O)O2)cc1OC.
What is the InChIKey of (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide?
The InChIKey is WRVBYVLLUBDEOY-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H21BrN2O4/c1-20-13-5-9(11(16)6-14(13)21-2)7-18-8-10-3-4-12(22-10)15(17)19/h5-6,10,12,18H,3-4,7-8H2,1-2H3,(H2,17,19)/t10-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide?
(2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[(2-bromo-4,5-dimethoxyphenyl)methylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97225738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).