15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

C17H15NO2 — CID 102209928

IUPAC15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESNC1(C(=O)O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C17H15NO2/c18-17(16(19)20)9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8,14-15H,9,18H2,(H,19,20)
InChIKeyCGSILGWPJZPSBM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.45
Rot. Bonds1

About 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (PubChem CID 102209928) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.

Molecular Properties

Compound Name15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
PubChem CID102209928
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESNC1(C(=O)O)CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C17H15NO2/c18-17(16(19)20)9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8,14-15H,9,18H2,(H,19,20)
InChIKeyCGSILGWPJZPSBM-UHFFFAOYSA-N
XLogP2.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid with MolForge

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Related Compounds

1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
15-acetamidotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 59654389
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
(15S)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl chloride
CID 102060619
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
(4S,5R)-4-hydroxyspiro[cyclopent-2-ene-5,15'-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene]-1-one
CID 11277673
1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-1-carboxylic acid
CID 98626260
trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid
CID 10536660
(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335

Frequently Asked Questions

What is the IUPAC name of 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The IUPAC name of 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (CID 102209928) is 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
What is the SMILES notation for 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The canonical SMILES for 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is NC1(C(=O)O)CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The InChIKey is CGSILGWPJZPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c18-17(16(19)20)9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8,14-15H,9,18H2,(H,19,20).
What are the key properties of 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is sourced from PubChem (CID 102209928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).