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

C11H20N2O3 — CID 62012946

IUPACethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)N(C)CC(=O)OCC
InChIInChI=1S/C11H20N2O3/c1-5-7-12-11(15)9(3)13(4)8-10(14)16-6-2/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyCQOMOYRWTRCLPC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds7

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

ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (PubChem CID 62012946) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
PubChem CID62012946
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)N(C)CC(=O)OCC
InChIInChI=1S/C11H20N2O3/c1-5-7-12-11(15)9(3)13(4)8-10(14)16-6-2/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyCQOMOYRWTRCLPC-UHFFFAOYSA-N
XLogP0.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Boc-D-N(allyl)Ala-Ala-OMe
CID 5471032
Ethyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 14331237
prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 14259768
prop-2-enyl (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoate
CID 16070369
L-alanyl-(2S,3E)-amino-4-methoxy-but-3-enoyl-L-alanine
CID 129320388
l-Alanyl-d-Alanin-Athylester
CID 129643644
Alanyl-glycine butyl ester
CID 129826798
Methyl 2-[[2-(tert-butylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 134845044
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734457
Ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-prop-2-enylamino]acetate
CID 78977690
2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
CID 103080635

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (CID 62012946) is ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is C=CCNC(=O)C(C)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The InChIKey is CQOMOYRWTRCLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-7-12-11(15)9(3)13(4)8-10(14)16-6-2/h5,9H,1,6-8H2,2-4H3,(H,12,15).
What are the key properties of ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 62012946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).