prop-2-ynyl 2-acetamidoacetate

C7H9NO3 — CID 131210561

IUPACprop-2-ynyl 2-acetamidoacetate
SMILESC#CCOC(=O)CNC(C)=O
InChIInChI=1S/C7H9NO3/c1-3-4-11-7(10)5-8-6(2)9/h1H,4-5H2,2H3,(H,8,9)
InChIKeyMFAANPVETFOHMD-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.70
Rot. Bonds3

About prop-2-ynyl 2-acetamidoacetate

prop-2-ynyl 2-acetamidoacetate (PubChem CID 131210561) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is prop-2-ynyl 2-acetamidoacetate.

Molecular Properties

Compound Nameprop-2-ynyl 2-acetamidoacetate
PubChem CID131210561
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameprop-2-ynyl 2-acetamidoacetate
SMILESC#CCOC(=O)CNC(C)=O
InChIInChI=1S/C7H9NO3/c1-3-4-11-7(10)5-8-6(2)9/h1H,4-5H2,2H3,(H,8,9)
InChIKeyMFAANPVETFOHMD-UHFFFAOYSA-N
XLogP-0.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
prop-2-ynyl (2R)-2-methoxycarbonyloxypropanoate
CID 88616849
prop-2-ynyl 2-methoxycarbonyloxypropanoate
CID 88549091
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
methyl 2-methyl-2-prop-2-ynoxycarbonyloxypropanoate
CID 88550304
prop-2-ynyl 2-ethoxyacetate
CID 14897387
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
1-O-propyl 4-O-prop-2-ynyl butanedioate
CID 88550128
bis(prop-2-ynyl) 2-hydroxybutanedioate
CID 13348843
prop-2-ynyl 2-prop-1-ynoxycarbonyloxyacetate
CID 88550645

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-acetamidoacetate?
The IUPAC name of prop-2-ynyl 2-acetamidoacetate (CID 131210561) is prop-2-ynyl 2-acetamidoacetate.
What is the SMILES notation for prop-2-ynyl 2-acetamidoacetate?
The canonical SMILES for prop-2-ynyl 2-acetamidoacetate is C#CCOC(=O)CNC(C)=O.
What is the InChIKey of prop-2-ynyl 2-acetamidoacetate?
The InChIKey is MFAANPVETFOHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-4-11-7(10)5-8-6(2)9/h1H,4-5H2,2H3,(H,8,9).
What are the key properties of prop-2-ynyl 2-acetamidoacetate?
prop-2-ynyl 2-acetamidoacetate has a molecular weight of 155.15 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-acetamidoacetate is sourced from PubChem (CID 131210561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).