ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate

C16H18N2O4 — CID 142737066

IUPACethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(O)ccc2n1CC(=O)N1CCC1
InChIInChI=1S/C16H18N2O4/c1-2-22-16(21)14-9-11-8-12(19)4-5-13(11)18(14)10-15(20)17-6-3-7-17/h4-5,8-9,19H,2-3,6-7,10H2,1H3
InChIKeyIQJBIWAHGJHFEC-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.76
Rot. Bonds4

About ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate

ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate (PubChem CID 142737066) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
PubChem CID142737066
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(O)ccc2n1CC(=O)N1CCC1
InChIInChI=1S/C16H18N2O4/c1-2-22-16(21)14-9-11-8-12(19)4-5-13(11)18(14)10-15(20)17-6-3-7-17/h4-5,8-9,19H,2-3,6-7,10H2,1H3
InChIKeyIQJBIWAHGJHFEC-UHFFFAOYSA-N
XLogP1.76
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
ethyl 4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438707
ethyl 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxyindole-2-carboxylate
CID 22259366
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
ethyl 1-(cyanomethyl)-5-methylindole-2-carboxylate
CID 14595499
ethyl 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438921
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
CID 36841011
ethyl 5-bromo-1-(isocyanomethyl)indole-2-carboxylate
CID 170523084
ethyl 1-[(3,4-dichlorophenyl)methyl]-5-pyrrolidin-1-ylindole-2-carboxylate
CID 22311013
sodium;5-chloro-1-[2-[4-[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]piperazin-1-yl]-2-oxoethyl]indole-2-carboxylic acid;ethyl 5-chloro-1-[2-[4-[2-[(4-methylsulfonylphenyl)carbamoyl]phenyl]piperazin-1-yl]-2-oxoethyl]indole-2-carboxylate;hydroxide
CID 157298904
ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 655865

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate?
The IUPAC name of ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate (CID 142737066) is ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate is CCOC(=O)c1cc2cc(O)ccc2n1CC(=O)N1CCC1.
What is the InChIKey of ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate?
The InChIKey is IQJBIWAHGJHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-16(21)14-9-11-8-12(19)4-5-13(11)18(14)10-15(20)17-6-3-7-17/h4-5,8-9,19H,2-3,6-7,10H2,1H3.
What are the key properties of ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate?
ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate is sourced from PubChem (CID 142737066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).