ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

C10H18N2O3 — CID 60811246

IUPACethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)NCC(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-4-6-11-10(14)8(3)12-7-9(13)15-5-2/h4,8,12H,1,5-7H2,2-3H3,(H,11,14)
InChIKeySZMLSRDYPZXREF-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds7

About ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (PubChem CID 60811246) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
PubChem CID60811246
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)NCC(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-4-6-11-10(14)8(3)12-7-9(13)15-5-2/h4,8,12H,1,5-7H2,2-3H3,(H,11,14)
InChIKeySZMLSRDYPZXREF-UHFFFAOYSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-prop-2-enylpropanamide
CID 113219588
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
CID 106174665
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811101
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (CID 60811246) is ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is C=CCNC(=O)C(C)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The InChIKey is SZMLSRDYPZXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-6-11-10(14)8(3)12-7-9(13)15-5-2/h4,8,12H,1,5-7H2,2-3H3,(H,11,14).
What are the key properties of ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate has a molecular weight of 214.26 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 60811246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).