2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid

C14H12N4O5 — CID 67086606

IUPAC2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3ccncc3n21
InChIInChI=1S/C14H12N4O5/c1-17-14(23)11(13(22)16-6-10(19)20)12(21)8-4-7-2-3-15-5-9(7)18(8)17/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20)
InChIKeyHXGCGMXMUPZPIP-UHFFFAOYSA-N
MW316.27 g/mol
LogP-0.29
Rot. Bonds3

About 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid

2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid (PubChem CID 67086606) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
PubChem CID67086606
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3ccncc3n21
InChIInChI=1S/C14H12N4O5/c1-17-14(23)11(13(22)16-6-10(19)20)12(21)8-4-7-2-3-15-5-9(7)18(8)17/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20)
InChIKeyHXGCGMXMUPZPIP-UHFFFAOYSA-N
XLogP-0.29
TPSA125.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid (CID 67086606) is 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc3ccncc3n21.
What is the InChIKey of 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid?
The InChIKey is HXGCGMXMUPZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-17-14(23)11(13(22)16-6-10(19)20)12(21)8-4-7-2-3-15-5-9(7)18(8)17/h2-5,21H,6H2,1H3,(H,16,22)(H,19,20).
What are the key properties of 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid?
2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid has a molecular weight of 316.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10-hydroxy-13-methyl-12-oxo-1,4,13-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-11-carbonyl)amino]acetic acid is sourced from PubChem (CID 67086606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).