ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate

C14H17NO5 — CID 7436683

IUPACethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1[C@@H](C)C(=O)OCC
InChIInChI=1S/C14H17NO5/c1-4-18-13(16)9(3)15-10-6-7-20-12(10)8-11(15)14(17)19-5-2/h6-9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyLCZRJTBWLGTKKQ-VIFPVBQESA-N
MW279.29 g/mol
LogP2.54
Rot. Bonds5

About ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 7436683) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID7436683
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Nameethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1[C@@H](C)C(=O)OCC
InChIInChI=1S/C14H17NO5/c1-4-18-13(16)9(3)15-10-6-7-20-12(10)8-11(15)14(17)19-5-2/h6-9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyLCZRJTBWLGTKKQ-VIFPVBQESA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 1438948
ethyl 4-[2-(diethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438687
ethyl 4-[(2-amino-3-hydroxypropanoyl)oxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924461
ethyl 4-[2-[(2R)-2-amino-3-methylbutoxy]ethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 58134149
ethyl 4-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 44814586
ethyl 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 50924880
ethyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3229399
ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438707
ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438701
acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 50924262
ethyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438726
N-(4-methylphenyl)-4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 42790627

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate (CID 7436683) is ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is LCZRJTBWLGTKKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-18-13(16)9(3)15-10-6-7-20-12(10)8-11(15)14(17)19-5-2/h6-9H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 279.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-1-ethoxy-1-oxopropan-2-yl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 7436683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).