ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate

C16H17NO4 — CID 57192082

IUPACethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1NC1(c2ccccc2)CC1
InChIInChI=1S/C16H17NO4/c1-2-20-15(19)13-12(18)10-21-14(13)17-16(8-9-16)11-6-4-3-5-7-11/h3-7,10,17-18H,2,8-9H2,1H3
InChIKeyOEVAFNMNGDZACU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.26
Rot. Bonds5

About ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate

ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate (PubChem CID 57192082) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate
PubChem CID57192082
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1NC1(c2ccccc2)CC1
InChIInChI=1S/C16H17NO4/c1-2-20-15(19)13-12(18)10-21-14(13)17-16(8-9-16)11-6-4-3-5-7-11/h3-7,10,17-18H,2,8-9H2,1H3
InChIKeyOEVAFNMNGDZACU-UHFFFAOYSA-N
XLogP3.26
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate (CID 57192082) is ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate is CCOC(=O)c1c(O)coc1NC1(c2ccccc2)CC1.
What is the InChIKey of ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate?
The InChIKey is OEVAFNMNGDZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-20-15(19)13-12(18)10-21-14(13)17-16(8-9-16)11-6-4-3-5-7-11/h3-7,10,17-18H,2,8-9H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate?
ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-[(1-phenylcyclopropyl)amino]furan-3-carboxylate is sourced from PubChem (CID 57192082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).