ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate

C9H16N2O3 — CID 79284929

IUPACethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate
SMILESC=CCNCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H16N2O3/c1-3-5-10-6-8(12)11-7-9(13)14-4-2/h3,10H,1,4-7H2,2H3,(H,11,12)
InChIKeyUSAYFPDTMGHWSI-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.56
Rot. Bonds7

About ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate

ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate (PubChem CID 79284929) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate
PubChem CID79284929
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate
SMILESC=CCNCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H16N2O3/c1-3-5-10-6-8(12)11-7-9(13)14-4-2/h3,10H,1,4-7H2,2H3,(H,11,12)
InChIKeyUSAYFPDTMGHWSI-UHFFFAOYSA-N
XLogP-0.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate (CID 79284929) is ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate is C=CCNCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate?
The InChIKey is USAYFPDTMGHWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-5-10-6-8(12)11-7-9(13)14-4-2/h3,10H,1,4-7H2,2H3,(H,11,12).
What are the key properties of ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate?
ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate is sourced from PubChem (CID 79284929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).