[(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

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Related Compounds

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 91797813
(3aR,7aR)-2-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340489
(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 56719092
[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 90648536
(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97278790
3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 678938
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 91774436
(2-amino-4-phenylpyrimidin-5-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266763
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266538
3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 133268360

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).