2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid

C19H23N3O5 — CID 147712250

IUPAC2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(Cn2nc(CC(=O)O)c3ccccc3c2=O)C1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(26)21-9-12(10-21)11-22-17(25)14-7-5-4-6-13(14)15(20-22)8-16(23)24/h4-7,12H,8-11H2,1-3H3,(H,23,24)
InChIKeyGUYACBIRHBTIGR-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.89
Rot. Bonds4

About 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid

2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid (PubChem CID 147712250) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid
PubChem CID147712250
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(Cn2nc(CC(=O)O)c3ccccc3c2=O)C1
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-18(26)21-9-12(10-21)11-22-17(25)14-7-5-4-6-13(14)15(20-22)8-16(23)24/h4-7,12H,8-11H2,1-3H3,(H,23,24)
InChIKeyGUYACBIRHBTIGR-UHFFFAOYSA-N
XLogP1.89
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]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

methyl 4-[[4-(2-methoxy-2-oxoethyl)-1-oxophthalazin-2-yl]methyl]piperidine-1-carboxylate
CID 166812548
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
tert-butyl 3-[(3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]azetidine-1-carboxylate
CID 164736270
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
CID 67979283
tert-butyl 3-[(benzylamino)methyl]azetidine-1-carboxylate
CID 53415255
[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]phenyl]boronic acid
CID 67451416
benzyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]piperazine-1-carboxylate
CID 155677833
tert-butyl 3-(anilinomethyl)pyrrolidine-1-carboxylate
CID 85223002
tert-butyl 3-[(2R)-2-phenyl-2-trimethylsilyloxyethyl]azetidine-1-carboxylate
CID 162402021
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]pyrazole-3,5-dicarboxylic acid
CID 170902177
tert-butyl 3-[(4-chloro-2-oxopyrrolidin-1-yl)methyl]azetidine-1-carboxylate
CID 168687215

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid (CID 147712250) is 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CC(Cn2nc(CC(=O)O)c3ccccc3c2=O)C1.
What is the InChIKey of 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid?
The InChIKey is GUYACBIRHBTIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-18(26)21-9-12(10-21)11-22-17(25)14-7-5-4-6-13(14)15(20-22)8-16(23)24/h4-7,12H,8-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid?
2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-4-oxophthalazin-1-yl]acetic acid is sourced from PubChem (CID 147712250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).