2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C23H26N2O4 — CID 119161036

IUPAC2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccccc1N1CCC(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)C1
InChIInChI=1S/C23H26N2O4/c1-29-20-9-5-4-8-19(20)25-11-10-18(15-25)24-21(26)14-23(22(27)28)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,26)(H,27,28)
InChIKeySQJAVQWBFDMZPW-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119161036) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119161036
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccccc1N1CCC(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)C1
InChIInChI=1S/C23H26N2O4/c1-29-20-9-5-4-8-19(20)25-11-10-18(15-25)24-21(26)14-23(22(27)28)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,26)(H,27,28)
InChIKeySQJAVQWBFDMZPW-UHFFFAOYSA-N
XLogP2.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
2-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120597288
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119866151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119161036) is 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is COc1ccccc1N1CCC(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)C1.
What is the InChIKey of 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is SQJAVQWBFDMZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-29-20-9-5-4-8-19(20)25-11-10-18(15-25)24-21(26)14-23(22(27)28)12-16-6-2-3-7-17(16)13-23/h2-9,18H,10-15H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119161036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).