ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate

C10H18N2O3 — CID 79278725

IUPACethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate
SMILESC=CCNCC(=O)NCCC(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-3-6-11-8-9(13)12-7-5-10(14)15-4-2/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyQTZASDJXPFKPKT-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds8

About ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate

ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate (PubChem CID 79278725) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate
PubChem CID79278725
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate
SMILESC=CCNCC(=O)NCCC(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-3-6-11-8-9(13)12-7-5-10(14)15-4-2/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyQTZASDJXPFKPKT-UHFFFAOYSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.17
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

beta-Alanine, N-acryloyl-, butyl ester
CID 91692696
N-allyl-malonamic acid ethyl ester
CID 24763927
Methyl 3-[[2-(prop-2-enylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 79280328
N-(3-propan-2-yloxypropyl)-N'-prop-2-enyloxamide
CID 1557882
N-(3-methoxypropyl)-N'-(prop-2-en-1-yl)ethanediamide
CID 2272322
Ethyl 2-[[2-(prop-2-enylamino)acetyl]amino]acetate
CID 79284929
[2,2-Dimethyl-3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propyl] acetate
CID 88855034
Butyl 2-amino-3-(prop-2-enoylamino)propanoate
CID 118368064
[3-[[2-(Buta-1,3-dien-2-ylamino)-2-methylpropanoyl]amino]-2,2-dimethylpropyl] acetate
CID 118517825
Methyl 3-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]propanoate
CID 134339741
3-[[2-(3-Acetyloxyprop-2-enylamino)-2-oxoacetyl]amino]prop-1-enyl acetate
CID 173335411
N-(3-ethoxypropyl)-N'-prop-2-enyloxamide
CID 21369925

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate (CID 79278725) is ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate is C=CCNCC(=O)NCCC(=O)OCC.
What is the InChIKey of ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate?
The InChIKey is QTZASDJXPFKPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-6-11-8-9(13)12-7-5-10(14)15-4-2/h3,11H,1,4-8H2,2H3,(H,12,13).
What are the key properties of ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate?
ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(prop-2-enylamino)acetyl]amino]propanoate is sourced from PubChem (CID 79278725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).