methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate

C14H17NO4 — CID 103260078

IUPACmethyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N[C@@H](C)c2ccco2)o1
InChIInChI=1S/C14H17NO4/c1-9(11-5-4-8-18-11)15-10(2)12-6-7-13(19-12)14(16)17-3/h4-10,15H,1-3H3/t9-,10?/m0/s1
InChIKeySYPFMCTZRZZTDA-RGURZIINSA-N
MW263.29 g/mol
LogP3.07
Rot. Bonds5

About methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate (PubChem CID 103260078) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
PubChem CID103260078
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N[C@@H](C)c2ccco2)o1
InChIInChI=1S/C14H17NO4/c1-9(11-5-4-8-18-11)15-10(2)12-6-7-13(19-12)14(16)17-3/h4-10,15H,1-3H3/t9-,10?/m0/s1
InChIKeySYPFMCTZRZZTDA-RGURZIINSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[1-(furan-2-yl)ethylamino]ethyl]furan-2-carboxylate
CID 103616123
methyl 5-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]furan-2-carboxylate
CID 103244693
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(1-hydroxypentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103267752
methyl 5-[1-(pent-1-yn-3-ylamino)ethyl]furan-2-carboxylate
CID 106231812
methyl 5-[1-[(1-hydroxy-4-methoxybutan-2-yl)amino]ethyl]furan-2-carboxylate
CID 114210879
methyl 2-fluoro-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 106700305
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
methyl 4-[1-(furan-2-yl)ethylamino]benzoate
CID 43139128
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate (CID 103260078) is methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N[C@@H](C)c2ccco2)o1.
What is the InChIKey of methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is SYPFMCTZRZZTDA-RGURZIINSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(11-5-4-8-18-11)15-10(2)12-6-7-13(19-12)14(16)17-3/h4-10,15H,1-3H3/t9-,10?/m0/s1.
What are the key properties of methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103260078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).