ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate

C15H20N2O3 — CID 58811918

IUPACethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)C(C)(C)c2cc(N)ccc21
InChIInChI=1S/C15H20N2O3/c1-4-20-13(18)7-8-17-12-6-5-10(16)9-11(12)15(2,3)14(17)19/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyDQNFRJJJVSSQDU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate

ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate (PubChem CID 58811918) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate
PubChem CID58811918
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)C(C)(C)c2cc(N)ccc21
InChIInChI=1S/C15H20N2O3/c1-4-20-13(18)7-8-17-12-6-5-10(16)9-11(12)15(2,3)14(17)19/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyDQNFRJJJVSSQDU-UHFFFAOYSA-N
XLogP1.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate (CID 58811918) is ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate is CCOC(=O)CCN1C(=O)C(C)(C)c2cc(N)ccc21.
What is the InChIKey of ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate?
The InChIKey is DQNFRJJJVSSQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-20-13(18)7-8-17-12-6-5-10(16)9-11(12)15(2,3)14(17)19/h5-6,9H,4,7-8,16H2,1-3H3.
What are the key properties of ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate?
ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-3,3-dimethyl-2-oxoindol-1-yl)propanoate is sourced from PubChem (CID 58811918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).