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

C10H19NO2 — CID 11412788

IUPACethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate
SMILESCCOC(=O)[C@H](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+/t8-/m0/s1
InChIKeyAQGWAQNSCSFLPR-LBTPYSACSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds3

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

ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate (PubChem CID 11412788) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate
PubChem CID11412788
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate
SMILESCCOC(=O)[C@H](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+/t8-/m0/s1
InChIKeyAQGWAQNSCSFLPR-LBTPYSACSA-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 (2S)-2-(2,2-dimethylpropylideneamino)propanoate?
The IUPAC name of ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate (CID 11412788) is ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate is CCOC(=O)[C@H](C)/N=C/C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate?
The InChIKey is AQGWAQNSCSFLPR-LBTPYSACSA-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+/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2,2-dimethylpropylideneamino)propanoate?
ethyl (2S)-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 (2S)-2-(2,2-dimethylpropylideneamino)propanoate is sourced from PubChem (CID 11412788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).