methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate

C14H17NO4 — CID 81400076

IUPACmethyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccco2)oc1C
InChIInChI=1S/C14H17NO4/c1-9(13-5-4-6-18-13)15-8-11-7-12(10(2)19-11)14(16)17-3/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1
InChIKeyANWBAVWROVYPBQ-SECBINFHSA-N
MW263.29 g/mol
LogP2.82
Rot. Bonds5

About methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 81400076) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID81400076
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN[C@H](C)c2ccco2)oc1C
InChIInChI=1S/C14H17NO4/c1-9(13-5-4-6-18-13)15-8-11-7-12(10(2)19-11)14(16)17-3/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1
InChIKeyANWBAVWROVYPBQ-SECBINFHSA-N
XLogP2.82
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81375393
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586
methyl 2-fluoro-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 106700305
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 115904944
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 81400076) is methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN[C@H](C)c2ccco2)oc1C.
What is the InChIKey of methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is ANWBAVWROVYPBQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(13-5-4-6-18-13)15-8-11-7-12(10(2)19-11)14(16)17-3/h4-7,9,15H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 81400076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).