2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate

C9H15NO3 — CID 6420270

IUPAC2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCC(C)C
InChIInChI=1S/C9H15NO3/c1-4-5-10-8(11)9(12)13-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyCUFZYSNRJLROJB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.49
Rot. Bonds4

About 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate

2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6420270) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6420270
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCC(C)C
InChIInChI=1S/C9H15NO3/c1-4-5-10-8(11)9(12)13-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyCUFZYSNRJLROJB-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, (di-2-propenylamino)oxo-, ethyl ester
CID 3412735
Ethyl (isobutylamino)(oxo)acetate
CID 4143950
Acetic acid, 2-oxo-2-(2-propen-1-ylamino)-, ethyl ester
CID 6420265
Oxalic acid, monoamide, N-allyl-, pentyl ester
CID 6420267
Methyl 2-(3-methylbut-2-enylamino)-2-oxoacetate
CID 59266745
Oxalic acid, monoamide, N-allyl-, isohexyl ester
CID 6420239
Oxalic acid, monoamide, N-allyl-, propyl ester
CID 6420266
Oxalic acid, monoamide, N-allyl-, hexyl ester
CID 6420268
Ethyl 2-(but-2-enoylamino)acetate
CID 4777939
ethyl 2-[[(E)-but-2-enoyl]amino]acetate
CID 6211681
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
(4-Tert-butylperoxy-2-methylbutan-2-yl) 2-oxo-2-(prop-2-enylamino)acetate
CID 54500706

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6420270) is 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is CUFZYSNRJLROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-10-8(11)9(12)13-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate?
2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6420270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).