ethyl 2-(2-methylprop-2-enoylamino)propanoate

C9H15NO3 — CID 86135895

IUPACethyl 2-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h7H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyMULFOTZDRHUZLB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds4

About ethyl 2-(2-methylprop-2-enoylamino)propanoate

ethyl 2-(2-methylprop-2-enoylamino)propanoate (PubChem CID 86135895) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-(2-methylprop-2-enoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylprop-2-enoylamino)propanoate
PubChem CID86135895
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h7H,2,5H2,1,3-4H3,(H,10,11)
InChIKeyMULFOTZDRHUZLB-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]propanoate
CID 139974005
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl 2-(carbamothioylamino)propanoate
CID 61498979
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
ethyl (2S)-2-(3-hydroxybut-2-enoylamino)propanoate
CID 140606099
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylprop-2-enoylamino)propanoate?
The IUPAC name of ethyl 2-(2-methylprop-2-enoylamino)propanoate (CID 86135895) is ethyl 2-(2-methylprop-2-enoylamino)propanoate.
What is the SMILES notation for ethyl 2-(2-methylprop-2-enoylamino)propanoate?
The canonical SMILES for ethyl 2-(2-methylprop-2-enoylamino)propanoate is C=C(C)C(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylprop-2-enoylamino)propanoate?
The InChIKey is MULFOTZDRHUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-13-9(12)7(4)10-8(11)6(2)3/h7H,2,5H2,1,3-4H3,(H,10,11).
What are the key properties of ethyl 2-(2-methylprop-2-enoylamino)propanoate?
ethyl 2-(2-methylprop-2-enoylamino)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylprop-2-enoylamino)propanoate is sourced from PubChem (CID 86135895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).