[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate

C14H14N4O5 — CID 2638807

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESC[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C14H14N4O5/c1-7(11(19)16-14(15)22)23-13(21)10-8-5-3-4-6-9(8)12(20)18(2)17-10/h3-7H,1-2H3,(H3,15,16,19,22)/t7-/m1/s1
InChIKeyCHAASKYFYHGFIX-SSDOTTSWSA-N
MW318.29 g/mol
LogP-0.33
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 2638807) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID2638807
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESC[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C14H14N4O5/c1-7(11(19)16-14(15)22)23-13(21)10-8-5-3-4-6-9(8)12(20)18(2)17-10/h3-7H,1-2H3,(H3,15,16,19,22)/t7-/m1/s1
InChIKeyCHAASKYFYHGFIX-SSDOTTSWSA-N
XLogP-0.33
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate (CID 2638807) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate is C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is CHAASKYFYHGFIX-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H14N4O5/c1-7(11(19)16-14(15)22)23-13(21)10-8-5-3-4-6-9(8)12(20)18(2)17-10/h3-7H,1-2H3,(H3,15,16,19,22)/t7-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 318.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 2638807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).