methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate

C10H15NO5 — CID 65314992

IUPACmethyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(CO)CO)o1
InChIInChI=1S/C10H15NO5/c1-15-10(14)9-3-2-8(16-9)4-11-7(5-12)6-13/h2-3,7,11-13H,4-6H2,1H3
InChIKeyZFQKQDBPJQTPMO-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.49
Rot. Bonds6

About methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate

methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate (PubChem CID 65314992) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
PubChem CID65314992
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(CO)CO)o1
InChIInChI=1S/C10H15NO5/c1-15-10(14)9-3-2-8(16-9)4-11-7(5-12)6-13/h2-3,7,11-13H,4-6H2,1H3
InChIKeyZFQKQDBPJQTPMO-UHFFFAOYSA-N
XLogP-0.49
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate (CID 65314992) is methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(CO)CO)o1.
What is the InChIKey of methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate?
The InChIKey is ZFQKQDBPJQTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-15-10(14)9-3-2-8(16-9)4-11-7(5-12)6-13/h2-3,7,11-13H,4-6H2,1H3.
What are the key properties of methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate?
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 65314992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).