methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate

C10H15NO4 — CID 103923855

IUPACmethyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC[C@@H](C)O)o1
InChIInChI=1S/C10H15NO4/c1-7(12)5-11-6-8-3-4-9(15-8)10(13)14-2/h3-4,7,11-12H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyPRTFKYLNLOEPOR-SSDOTTSWSA-N
MW213.23 g/mol
LogP0.54
Rot. Bonds5

About methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate (PubChem CID 103923855) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
PubChem CID103923855
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC[C@@H](C)O)o1
InChIInChI=1S/C10H15NO4/c1-7(12)5-11-6-8-3-4-9(15-8)10(13)14-2/h3-4,7,11-12H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyPRTFKYLNLOEPOR-SSDOTTSWSA-N
XLogP0.54
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
methyl 5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 115908766
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
CID 104588713
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate (CID 103923855) is methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC[C@@H](C)O)o1.
What is the InChIKey of methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate?
The InChIKey is PRTFKYLNLOEPOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(12)5-11-6-8-3-4-9(15-8)10(13)14-2/h3-4,7,11-12H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103923855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).