(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

C15H16N2O5 — CID 46816779

IUPAC(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OC(C)C(N)=O)C2=O
InChIInChI=1S/C15H16N2O5/c1-8-3-4-10-11(7-8)15(21)17(14(10)20)6-5-12(18)22-9(2)13(16)19/h3-4,7,9H,5-6H2,1-2H3,(H2,16,19)
InChIKeyGKNDLAAAKGTCQQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.40
Rot. Bonds5

About (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 46816779) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
PubChem CID46816779
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OC(C)C(N)=O)C2=O
InChIInChI=1S/C15H16N2O5/c1-8-3-4-10-11(7-8)15(21)17(14(10)20)6-5-12(18)22-9(2)13(16)19/h3-4,7,9H,5-6H2,1-2H3,(H2,16,19)
InChIKeyGKNDLAAAKGTCQQ-UHFFFAOYSA-N
XLogP0.40
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(tert-butylamino)-1-oxopropan-2-yl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46625480
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816608
(2-oxo-1,2-diphenylethyl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375209
(2-methoxy-5-methylphenyl)methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55386366
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
[(E)-3-phenylprop-2-enyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816496
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856468
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55533914
(1,3-dioxoisoindol-2-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 46816811
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (CID 46816779) is (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is Cc1ccc2c(c1)C(=O)N(CCC(=O)OC(C)C(N)=O)C2=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is GKNDLAAAKGTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-3-4-10-11(7-8)15(21)17(14(10)20)6-5-12(18)22-9(2)13(16)19/h3-4,7,9H,5-6H2,1-2H3,(H2,16,19).
What are the key properties of (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
(1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 304.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 46816779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).