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

C15H18N4O5 — CID 67086366

IUPAC2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid
SMILESCN1CCc2c(cc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)n23)C1
InChIInChI=1S/C15H18N4O5/c1-17-4-3-9-8(7-17)5-10-13(22)12(14(23)16-6-11(20)21)15(24)18(2)19(9)10/h5,22H,3-4,6-7H2,1-2H3,(H,16,23)(H,20,21)
InChIKeyISSFRPDINSFBNL-UHFFFAOYSA-N
MW334.33 g/mol
LogP-0.85
Rot. Bonds3

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

2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid (PubChem CID 67086366) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid
PubChem CID67086366
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid
SMILESCN1CCc2c(cc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)n23)C1
InChIInChI=1S/C15H18N4O5/c1-17-4-3-9-8(7-17)5-10-13(22)12(14(23)16-6-11(20)21)15(24)18(2)19(9)10/h5,22H,3-4,6-7H2,1-2H3,(H,16,23)(H,20,21)
InChIKeyISSFRPDINSFBNL-UHFFFAOYSA-N
XLogP-0.85
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-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

Related Compounds

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
2-[(4,6-dihydroxy-8-methoxy-1-methyl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 54738437
2-[(4-hydroxy-1-methyl-6-morpholin-4-yl-2-oxopyridazino[1,6-a]indole-3-carbonyl)amino]acetic acid
CID 67086264
(2S)-2-[(4-hydroxy-1-methyl-2-oxo-6,7,8,9-tetrahydropyridazino[1,6-a]indole-3-carbonyl)amino]propanoic acid
CID 54738371
2-(1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82395377
2-[(6-benzyl-4-hydroxy-1,5,7-trimethyl-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl)amino]acetic acid
CID 54738393
2-[(4-hydroxy-1-methyl-2-oxo-5,6,7,8-tetrahydropyridazino[1,6-b]indazole-3-carbonyl)amino]acetic acid
CID 67086299
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 54741065
2-[[4-hydroxy-7-methyl-6-oxo-2-(4-sulfamoylphenyl)pyrazolo[1,5-b]pyridazine-5-carbonyl]amino]acetic acid
CID 67086636
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043

Frequently Asked Questions

What is the IUPAC name of 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid (CID 67086366) is 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid is CN1CCc2c(cc3c(O)c(C(=O)NCC(=O)O)c(=O)n(C)n23)C1.
What is the InChIKey of 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid?
The InChIKey is ISSFRPDINSFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-17-4-3-9-8(7-17)5-10-13(22)12(14(23)16-6-11(20)21)15(24)18(2)19(9)10/h5,22H,3-4,6-7H2,1-2H3,(H,16,23)(H,20,21).
What are the key properties of 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid?
2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid has a molecular weight of 334.33 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10-hydroxy-5,13-dimethyl-12-oxo-1,5,13-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10-triene-11-carbonyl)amino]acetic acid is sourced from PubChem (CID 67086366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).