methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate

C25H30N2O5 — CID 57380560

IUPACmethyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate
SMILESCC[C@H](C)CCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C25H30N2O5/c1-5-15(2)9-6-12-18(25(30)32-4)23(28)16-10-7-13-19-21(16)26-20-14-8-11-17(22(20)27-19)24(29)31-3/h7-8,10-11,13-15,18,23,28H,5-6,9,12H2,1-4H3/t15-,18+,23+/m0/s1
InChIKeyAZOPYQAOEZDMBE-TUVUNVSASA-N
MW438.52 g/mol
LogP4.61
Rot. Bonds9

About methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate

methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate (PubChem CID 57380560) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate
PubChem CID57380560
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namemethyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate
SMILESCC[C@H](C)CCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C25H30N2O5/c1-5-15(2)9-6-12-18(25(30)32-4)23(28)16-10-7-13-19-21(16)26-20-14-8-11-17(22(20)27-19)24(29)31-3/h7-8,10-11,13-15,18,23,28H,5-6,9,12H2,1-4H3/t15-,18+,23+/m0/s1
InChIKeyAZOPYQAOEZDMBE-TUVUNVSASA-N
XLogP4.61
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate 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

methyl 6-[(2R,3S)-3-hydroxy-1-methoxy-1-oxononan-2-yl]phenazine-1-carboxylate
CID 163019140
(2R)-2-acetamido-3-[(1S,2S)-2-methoxycarbonyl-1-(6-methoxycarbonylphenazin-1-yl)-6-methylheptyl]sulfanylpropanoic acid
CID 169492478
diethyl phenazine-1,6-dicarboxylate
CID 71514835
methyl 3-ethoxyquinoxaline-5-carboxylate
CID 142784976
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
CID 56928077
methyl 2-[(1S)-1-hydroxyethyl]-1H-benzimidazole-4-carboxylate
CID 115357702
methyl 2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]benzoate;hydrochloride
CID 171270111
methyl 2-amino-3-(2-methylbutylsulfanyl)benzoate
CID 107752994
methyl 2-(3-methylbutyl)-1H-benzimidazole-4-carboxylate
CID 113293359
methyl 2-[(1S)-1-amino-4-methylpentyl]benzoate
CID 171230692
methyl 2-[(1S)-1,3-diaminopropyl]benzoate
CID 171230647
methyl 2-[(1S)-1,4-diaminobutyl]benzoate
CID 171230649

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate?
The IUPAC name of methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate (CID 57380560) is methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate.
What is the SMILES notation for methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate?
The canonical SMILES for methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate is CC[C@H](C)CCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12.
What is the InChIKey of methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate?
The InChIKey is AZOPYQAOEZDMBE-TUVUNVSASA-N. The full InChI is InChI=1S/C25H30N2O5/c1-5-15(2)9-6-12-18(25(30)32-4)23(28)16-10-7-13-19-21(16)26-20-14-8-11-17(22(20)27-19)24(29)31-3/h7-8,10-11,13-15,18,23,28H,5-6,9,12H2,1-4H3/t15-,18+,23+/m0/s1.
What are the key properties of methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate?
methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1S,2R,6S)-1-hydroxy-2-methoxycarbonyl-6-methyloctyl]phenazine-1-carboxylate is sourced from PubChem (CID 57380560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).