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

C9H14N2O4 — CID 154095540

IUPACethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate
SMILESC=CC(=O)NCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H14N2O4/c1-3-7(12)10-5-8(13)11-6-9(14)15-4-2/h3H,1,4-6H2,2H3,(H,10,12)(H,11,13)
InChIKeyKIUQUZCHQILCBG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.03
Rot. Bonds6

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

ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate (PubChem CID 154095540) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate
PubChem CID154095540
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate
SMILESC=CC(=O)NCC(=O)NCC(=O)OCC
InChIInChI=1S/C9H14N2O4/c1-3-7(12)10-5-8(13)11-6-9(14)15-4-2/h3H,1,4-6H2,2H3,(H,10,12)(H,11,13)
InChIKeyKIUQUZCHQILCBG-UHFFFAOYSA-N
XLogP-1.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 6429410
N-acryloylglycine ethyl ester
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ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
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ethyl 2-[[(E)-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobut-2-enoyl]amino]acetate
CID 121010917
Ethyl 2-(but-2-enoylamino)acetate
CID 4777939
ethyl 2-[[(E)-but-2-enoyl]amino]acetate
CID 6211681
Methyl 2,2-bis(prop-2-enoylamino)acetate
CID 19043999
Ethyl 2-(prop-2-enoylamino)propanoate
CID 20264008
2-(Prop-2-enoylamino)ethyl acetate
CID 22472459
(2-Methoxy-2-oxoethyl)-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 42601505
2-[[4-(2-Acetyloxyethylamino)-4-oxobut-2-enoyl]amino]ethyl acetate
CID 53887683
2-Methoxyethyl 2-(prop-2-enoylamino)acetate
CID 54033151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate (CID 154095540) is ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate is C=CC(=O)NCC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate?
The InChIKey is KIUQUZCHQILCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-7(12)10-5-8(13)11-6-9(14)15-4-2/h3H,1,4-6H2,2H3,(H,10,12)(H,11,13).
What are the key properties of ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate?
ethyl 2-[[2-(prop-2-enoylamino)acetyl]amino]acetate has a molecular weight of 214.22 g/mol, XLogP of -1.03, 6 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-enoylamino)acetyl]amino]acetate is sourced from PubChem (CID 154095540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).