ethyl 2-(2,2-dimethylpropylideneamino)propanoate

C10H19NO2 — CID 10797610

IUPACethyl 2-(2,2-dimethylpropylideneamino)propanoate
SMILESCCOC(=O)C(C)/N=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(12)8(2)11-7-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyAQGWAQNSCSFLPR-YRNVUSSQSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds3

About ethyl 2-(2,2-dimethylpropylideneamino)propanoate

ethyl 2-(2,2-dimethylpropylideneamino)propanoate (PubChem CID 10797610) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethylpropylideneamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethylpropylideneamino)propanoate
PubChem CID10797610
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(2,2-dimethylpropylideneamino)propanoate
SMILESCCOC(=O)C(C)/N=C/C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(12)8(2)11-7-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+
InChIKeyAQGWAQNSCSFLPR-YRNVUSSQSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethylpropylideneamino)propanoate?
The IUPAC name of ethyl 2-(2,2-dimethylpropylideneamino)propanoate (CID 10797610) is ethyl 2-(2,2-dimethylpropylideneamino)propanoate.
What is the SMILES notation for ethyl 2-(2,2-dimethylpropylideneamino)propanoate?
The canonical SMILES for ethyl 2-(2,2-dimethylpropylideneamino)propanoate is CCOC(=O)C(C)/N=C/C(C)(C)C.
What is the InChIKey of ethyl 2-(2,2-dimethylpropylideneamino)propanoate?
The InChIKey is AQGWAQNSCSFLPR-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-13-9(12)8(2)11-7-10(3,4)5/h7-8H,6H2,1-5H3/b11-7+.
What are the key properties of ethyl 2-(2,2-dimethylpropylideneamino)propanoate?
ethyl 2-(2,2-dimethylpropylideneamino)propanoate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethylpropylideneamino)propanoate is sourced from PubChem (CID 10797610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).