2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C18H21NO3 — CID 59314259

IUPAC2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC2CCC1C2
InChIInChI=1S/C18H21NO3/c20-16(15-8-11-5-6-12(15)7-11)19-18(17(21)22)9-13-3-1-2-4-14(13)10-18/h1-4,11-12,15H,5-10H2,(H,19,20)(H,21,22)
InChIKeyZRMOTWBIAOJNSE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds3

About 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314259) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314259
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC2CCC1C2
InChIInChI=1S/C18H21NO3/c20-16(15-8-11-5-6-12(15)7-11)19-18(17(21)22)9-13-3-1-2-4-14(13)10-18/h1-4,11-12,15H,5-10H2,(H,19,20)(H,21,22)
InChIKeyZRMOTWBIAOJNSE-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 79558584
N-[cyclopropyl(phenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51296083
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366521
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(1R,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878067
phenyl (1S,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 170698854
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182

Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 59314259) is 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)C1CC2CCC1C2.
What is the InChIKey of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is ZRMOTWBIAOJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-16(15-8-11-5-6-12(15)7-11)19-18(17(21)22)9-13-3-1-2-4-14(13)10-18/h1-4,11-12,15H,5-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).