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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Related Compounds

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CID 21721258
Glycylglycine allyl ester
CID 87433977
Acetic acid, 2-oxo-2-(2-propen-1-ylamino)-, ethyl ester
CID 6420265
Oxalic acid, monoamide, N-allyl-, pentyl ester
CID 6420267
prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 14259768
Methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 134845044
Ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate
CID 78977690
2-(prop-2-enylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79280589
N-[2-(2,2-difluoroethoxy)ethyl]-2-(prop-2-enylamino)acetamide
CID 105910361
2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
CID 119748924
Ethyl 2-(3,3-diallylureido)acetate
CID 311543
N-[2-(morpholin-4-yl)ethyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2271108

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).