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

C13H15NO4 — CID 81402967

IUPACmethyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN[C@H](C)c1ccco1
InChIInChI=1S/C13H15NO4/c1-9(11-4-3-6-17-11)14-8-10-5-7-18-12(10)13(15)16-2/h3-7,9,14H,8H2,1-2H3/t9-/m1/s1
InChIKeyMOWRTFFKWQDFIS-SECBINFHSA-N
MW249.27 g/mol
LogP2.51
Rot. Bonds5

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

methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate (PubChem CID 81402967) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
PubChem CID81402967
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN[C@H](C)c1ccco1
InChIInChI=1S/C13H15NO4/c1-9(11-4-3-6-17-11)14-8-10-5-7-18-12(10)13(15)16-2/h3-7,9,14H,8H2,1-2H3/t9-/m1/s1
InChIKeyMOWRTFFKWQDFIS-SECBINFHSA-N
XLogP2.51
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]furan-2-carboxylate
CID 103923910
methyl 3-[(1-cyclopropylethylamino)methyl]furan-2-carboxylate
CID 43776577
methyl 3-bromo-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 102766785
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylate
CID 43234822
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816
methyl 3-[(4,4,4-trifluorobutan-2-ylamino)methyl]furan-2-carboxylate
CID 113472103
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966
methyl 2-fluoro-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 106700305

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate (CID 81402967) is methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1occc1CN[C@H](C)c1ccco1.
What is the InChIKey of methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is MOWRTFFKWQDFIS-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(11-4-3-6-17-11)14-8-10-5-7-18-12(10)13(15)16-2/h3-7,9,14H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 81402967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).