2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C21H21N5O3 — CID 119137391

IUPAC2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCn1nnnc1-c1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C21H21N5O3/c1-2-26-19(23-24-25-26)14-8-5-9-17(10-14)22-18(27)13-21(20(28)29)11-15-6-3-4-7-16(15)12-21/h3-10H,2,11-13H2,1H3,(H,22,27)(H,28,29)
InChIKeyFNMPFRGGFZZCOC-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.56
Rot. Bonds6

About 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119137391) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119137391
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCn1nnnc1-c1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C21H21N5O3/c1-2-26-19(23-24-25-26)14-8-5-9-17(10-14)22-18(27)13-21(20(28)29)11-15-6-3-4-7-16(15)12-21/h3-10H,2,11-13H2,1H3,(H,22,27)(H,28,29)
InChIKeyFNMPFRGGFZZCOC-UHFFFAOYSA-N
XLogP2.56
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137389
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
(3aS,6aR)-2-[[3-(1-ethyltetrazol-5-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085178
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108593
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136526924

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119137391) is 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is CCn1nnnc1-c1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1.
What is the InChIKey of 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FNMPFRGGFZZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-2-26-19(23-24-25-26)14-8-5-9-17(10-14)22-18(27)13-21(20(28)29)11-15-6-3-4-7-16(15)12-21/h3-10H,2,11-13H2,1H3,(H,22,27)(H,28,29).
What are the key properties of 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119137391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).