(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid

C14H13N3O5 — CID 11843543

IUPAC(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc3c(cc2c1=O)OC[C@@H]1C[C@@H](O)CN31
InChIInChI=1S/C14H13N3O5/c18-7-1-6-5-22-10-2-8-11(19)9(14(20)21)3-15-12(8)16-13(10)17(6)4-7/h2-3,6-7,18H,1,4-5H2,(H,20,21)(H,15,16,19)/t6-,7+/m0/s1
InChIKeyMDVTYISHWKFZHY-NKWVEPMBSA-N
MW303.27 g/mol
LogP-0.05
Rot. Bonds1

About (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid

(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid (PubChem CID 11843543) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid.

Molecular Properties

Compound Name(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
PubChem CID11843543
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc3c(cc2c1=O)OC[C@@H]1C[C@@H](O)CN31
InChIInChI=1S/C14H13N3O5/c18-7-1-6-5-22-10-2-8-11(19)9(14(20)21)3-15-12(8)16-13(10)17(6)4-7/h2-3,6-7,18H,1,4-5H2,(H,20,21)(H,15,16,19)/t6-,7+/m0/s1
InChIKeyMDVTYISHWKFZHY-NKWVEPMBSA-N
XLogP-0.05
TPSA115.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The IUPAC name of (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid (CID 11843543) is (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid.
What is the SMILES notation for (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The canonical SMILES for (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid is O=C(O)c1c[nH]c2nc3c(cc2c1=O)OC[C@@H]1C[C@@H](O)CN31.
What is the InChIKey of (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
The InChIKey is MDVTYISHWKFZHY-NKWVEPMBSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-7-1-6-5-22-10-2-8-11(19)9(14(20)21)3-15-12(8)16-13(10)17(6)4-7/h2-3,6-7,18H,1,4-5H2,(H,20,21)(H,15,16,19)/t6-,7+/m0/s1.
What are the key properties of (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid?
(13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,15S)-13-hydroxy-4-oxo-17-oxa-7,9,11-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,5,8-tetraene-5-carboxylic acid is sourced from PubChem (CID 11843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).