5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid

C18H20N4O4 — CID 75602987

IUPAC5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
SMILESNC1CCN2c3ncc4c(=O)c(C(=O)O)cn(C5CC5)c4c3COCC12
InChIInChI=1S/C18H20N4O4/c19-13-3-4-21-14(13)8-26-7-12-15-10(5-20-17(12)21)16(23)11(18(24)25)6-22(15)9-1-2-9/h5-6,9,13-14H,1-4,7-8,19H2,(H,24,25)
InChIKeyOTHGBUMFZPRJII-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.87
Rot. Bonds2

About 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid

5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid (PubChem CID 75602987) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid.

Molecular Properties

Compound Name5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
PubChem CID75602987
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
SMILESNC1CCN2c3ncc4c(=O)c(C(=O)O)cn(C5CC5)c4c3COCC12
InChIInChI=1S/C18H20N4O4/c19-13-3-4-21-14(13)8-26-7-12-15-10(5-20-17(12)21)16(23)11(18(24)25)6-22(15)9-1-2-9/h5-6,9,13-14H,1-4,7-8,19H2,(H,24,25)
InChIKeyOTHGBUMFZPRJII-UHFFFAOYSA-N
XLogP0.87
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid with MolForge

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Related Compounds

5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,17-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 75602821
(4R)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 143890883
4-amino-12-cyclopropyl-15-oxo-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),8,10,13,16-pentaene-14-carboxylic acid
CID 77496405
7-[(3R,3aR,6aS)-3-amino-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139791910
(14R,15R)-14-amino-3-cyclopropyl-9-fluoro-17-methyl-6-oxo-3,11,17-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
CID 70953231
(4R,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid;ethyl (4R,6S)-4-amino-12-cyclopropyl-18-fluoro-15-oxo-8-oxa-2,12-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylate
CID 162207228
7-[(3aR,4S,7aS)-4-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14988966
6-amino-12-cyclopropyl-18-fluoro-15-oxo-9-thia-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 75602963
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635
7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 139740905
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912

Frequently Asked Questions

What is the IUPAC name of 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?
The IUPAC name of 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid (CID 75602987) is 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid.
What is the SMILES notation for 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?
The canonical SMILES for 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid is NC1CCN2c3ncc4c(=O)c(C(=O)O)cn(C5CC5)c4c3COCC12.
What is the InChIKey of 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?
The InChIKey is OTHGBUMFZPRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c19-13-3-4-21-14(13)8-26-7-12-15-10(5-20-17(12)21)16(23)11(18(24)25)6-22(15)9-1-2-9/h5-6,9,13-14H,1-4,7-8,19H2,(H,24,25).
What are the key properties of 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?
5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-12-cyclopropyl-15-oxo-8-oxa-2,12,18-triazatetracyclo[8.8.0.02,6.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid is sourced from PubChem (CID 75602987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).