2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate

C23H29NO8 — CID 58358356

IUPAC2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate
SMILESCC(O)c1cccc(NC[C@H]2C(=O)CC(O)[C@@H]2COCc2ccc(C(=O)OCCO)o2)c1
InChIInChI=1S/C23H29NO8/c1-14(26)15-3-2-4-16(9-15)24-11-18-19(21(28)10-20(18)27)13-30-12-17-5-6-22(32-17)23(29)31-8-7-25/h2-6,9,14,18-19,21,24-26,28H,7-8,10-13H2,1H3/t14?,18-,19-,21?/m1/s1
InChIKeyIYEPDNYJRJFAGN-JAQPBELDSA-N
MW447.48 g/mol
LogP1.68
Rot. Bonds11

About 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate

2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate (PubChem CID 58358356) has the molecular formula C23H29NO8 and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate
PubChem CID58358356
Molecular FormulaC23H29NO8
Molecular Weight447.48 g/mol
Exact Mass447.19
IUPAC Name2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate
SMILESCC(O)c1cccc(NC[C@H]2C(=O)CC(O)[C@@H]2COCc2ccc(C(=O)OCCO)o2)c1
InChIInChI=1S/C23H29NO8/c1-14(26)15-3-2-4-16(9-15)24-11-18-19(21(28)10-20(18)27)13-30-12-17-5-6-22(32-17)23(29)31-8-7-25/h2-6,9,14,18-19,21,24-26,28H,7-8,10-13H2,1H3/t14?,18-,19-,21?/m1/s1
InChIKeyIYEPDNYJRJFAGN-JAQPBELDSA-N
XLogP1.68
TPSA138.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate (CID 58358356) is 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate is CC(O)c1cccc(NC[C@H]2C(=O)CC(O)[C@@H]2COCc2ccc(C(=O)OCCO)o2)c1.
What is the InChIKey of 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate?
The InChIKey is IYEPDNYJRJFAGN-JAQPBELDSA-N. The full InChI is InChI=1S/C23H29NO8/c1-14(26)15-3-2-4-16(9-15)24-11-18-19(21(28)10-20(18)27)13-30-12-17-5-6-22(32-17)23(29)31-8-7-25/h2-6,9,14,18-19,21,24-26,28H,7-8,10-13H2,1H3/t14?,18-,19-,21?/m1/s1.
What are the key properties of 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate?
2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate has a molecular weight of 447.48 g/mol, XLogP of 1.68, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-[[(1S,2S)-5-hydroxy-2-[[3-(1-hydroxyethyl)anilino]methyl]-3-oxocyclopentyl]methoxymethyl]furan-2-carboxylate is sourced from PubChem (CID 58358356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).