[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone

C19H23NO5 — CID 91760512

IUPAC[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCCO[C@H]1CN(C(=O)c2oc(COc3ccccc3)cc2C)C[C@@H]1O
InChIInChI=1S/C19H23NO5/c1-3-23-17-11-20(10-16(17)21)19(22)18-13(2)9-15(25-18)12-24-14-7-5-4-6-8-14/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyKEZUYEGTDXTQBY-IRXDYDNUSA-N
MW345.40 g/mol
LogP2.39
Rot. Bonds6

About [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone

[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 91760512) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
PubChem CID91760512
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCCO[C@H]1CN(C(=O)c2oc(COc3ccccc3)cc2C)C[C@@H]1O
InChIInChI=1S/C19H23NO5/c1-3-23-17-11-20(10-16(17)21)19(22)18-13(2)9-15(25-18)12-24-14-7-5-4-6-8-14/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m0/s1
InChIKeyKEZUYEGTDXTQBY-IRXDYDNUSA-N
XLogP2.39
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone 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 [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (CID 91760512) is [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is CCO[C@H]1CN(C(=O)c2oc(COc3ccccc3)cc2C)C[C@@H]1O.
What is the InChIKey of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is KEZUYEGTDXTQBY-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-23-17-11-20(10-16(17)21)19(22)18-13(2)9-15(25-18)12-24-14-7-5-4-6-8-14/h4-9,16-17,21H,3,10-12H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 345.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 91760512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).