methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate

C14H17NO4 — CID 141431657

IUPACmethyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1CC(c2ccoc2CCO)=CC=C1N
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-8-9(2-3-12(11)15)10-5-7-19-13(10)4-6-16/h2-3,5,7,11,16H,4,6,8,15H2,1H3
InChIKeyRVLJNFMSABGXSV-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.23
Rot. Bonds4

About methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate

methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate (PubChem CID 141431657) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate
PubChem CID141431657
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate
SMILESCOC(=O)C1CC(c2ccoc2CCO)=CC=C1N
InChIInChI=1S/C14H17NO4/c1-18-14(17)11-8-9(2-3-12(11)15)10-5-7-19-13(10)4-6-16/h2-3,5,7,11,16H,4,6,8,15H2,1H3
InChIKeyRVLJNFMSABGXSV-UHFFFAOYSA-N
XLogP1.23
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-5-carboxylate
CID 11310068
methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
CID 69345761
methyl 4,5,6,7-tetrahydro-1-benzofuran-5-carboxylate
CID 12514934
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
CID 177449597
methyl 4-amino-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylate
CID 83915744
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 3-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 77428227
methyl 2-butyl-4-oxocyclopent-2-ene-1-carboxylate
CID 45098848
dimethyl 2-[(3-methylfuran-2-yl)methyl]propanedioate
CID 15324934
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl 4,7-dimethyl-3-oxo-1,2-dihydroindene-2-carboxylate
CID 15254136

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate (CID 141431657) is methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate is COC(=O)C1CC(c2ccoc2CCO)=CC=C1N.
What is the InChIKey of methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is RVLJNFMSABGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-14(17)11-8-9(2-3-12(11)15)10-5-7-19-13(10)4-6-16/h2-3,5,7,11,16H,4,6,8,15H2,1H3.
What are the key properties of methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate?
methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[2-(2-hydroxyethyl)furan-3-yl]cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 141431657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).