2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

C16H19NO4 — CID 97185349

IUPAC2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCCO)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H19NO4/c18-6-7-21-16(20)13-9-15(19)17(10-13)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,13,18H,1-3,6-7,9-10H2/t13-/m1/s1
InChIKeyGSQAUMBRJRHJQE-CYBMUJFWSA-N
MW289.33 g/mol
LogP1.06
Rot. Bonds4

About 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate

2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 97185349) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID97185349
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCCO)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H19NO4/c18-6-7-21-16(20)13-9-15(19)17(10-13)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,13,18H,1-3,6-7,9-10H2/t13-/m1/s1
InChIKeyGSQAUMBRJRHJQE-CYBMUJFWSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 71897607
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 71897715
(4-methylphenyl) 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 43059386
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 2112928
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94333773
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate (CID 97185349) is 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is O=C(OCCO)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GSQAUMBRJRHJQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO4/c18-6-7-21-16(20)13-9-15(19)17(10-13)14-5-4-11-2-1-3-12(11)8-14/h4-5,8,13,18H,1-3,6-7,9-10H2/t13-/m1/s1.
What are the key properties of 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate?
2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 97185349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).