ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate

C15H16N2O5 — CID 19166860

IUPACethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O5/c1-3-22-15(21)9(2)16-12(18)8-17-13(19)10-6-4-5-7-11(10)14(17)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyBEDYIXRTXKLTJQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.35
Rot. Bonds5

About ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate

ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate (PubChem CID 19166860) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
PubChem CID19166860
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O5/c1-3-22-15(21)9(2)16-12(18)8-17-13(19)10-6-4-5-7-11(10)14(17)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)
InChIKeyBEDYIXRTXKLTJQ-UHFFFAOYSA-N
XLogP0.35
TPSA92.78 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 ≤ 50.35
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

ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
diethyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]propanedioate
CID 594859
N-(1-amino-4-methylpentan-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119587577
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
ethyl (2S,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxybutanoate
CID 11779023
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate (CID 19166860) is ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate?
The InChIKey is BEDYIXRTXKLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-22-15(21)9(2)16-12(18)8-17-13(19)10-6-4-5-7-11(10)14(17)20/h4-7,9H,3,8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate?
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate has a molecular weight of 304.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 19166860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).