2-(2-acetyloxyethenylamino)acetic acid

C6H9NO4 — CID 152617117

IUPAC2-(2-acetyloxyethenylamino)acetic acid
SMILESCC(=O)OC=CNCC(=O)O
InChIInChI=1S/C6H9NO4/c1-5(8)11-3-2-7-4-6(9)10/h2-3,7H,4H2,1H3,(H,9,10)
InChIKeyZATBRYYNMCAHAY-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.31
Rot. Bonds4

About 2-(2-acetyloxyethenylamino)acetic acid

2-(2-acetyloxyethenylamino)acetic acid (PubChem CID 152617117) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(2-acetyloxyethenylamino)acetic acid.

Molecular Properties

Compound Name2-(2-acetyloxyethenylamino)acetic acid
PubChem CID152617117
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(2-acetyloxyethenylamino)acetic acid
SMILESCC(=O)OC=CNCC(=O)O
InChIInChI=1S/C6H9NO4/c1-5(8)11-3-2-7-4-6(9)10/h2-3,7H,4H2,1H3,(H,9,10)
InChIKeyZATBRYYNMCAHAY-UHFFFAOYSA-N
XLogP-0.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Methoxyvinylglycine
CID 67565635
Aminoethoxyvinylglycine hydrochloride
CID 118797410
Vinylglycine methyl ester
CID 20135711
2-[2-(2-Aminoethoxy)ethenylamino]acetic acid
CID 53439366
Aminooxyvinylglycine
CID 86131534
Aminoethoxyvinyle glycine
CID 87997032
1-Aminoethoxyvinylglycine
CID 129662537
Ethoxyvinylglycine
CID 129690887
2-Amino-ethoxyvinyl-glycine
CID 129691308
Oxyvinylglycine
CID 132279820
2-Aminoethoxyvinyle glycine
CID 9920455
Ethyl 2-(ethenylamino)acetate
CID 12816426

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyethenylamino)acetic acid?
The IUPAC name of 2-(2-acetyloxyethenylamino)acetic acid (CID 152617117) is 2-(2-acetyloxyethenylamino)acetic acid.
What is the SMILES notation for 2-(2-acetyloxyethenylamino)acetic acid?
The canonical SMILES for 2-(2-acetyloxyethenylamino)acetic acid is CC(=O)OC=CNCC(=O)O.
What is the InChIKey of 2-(2-acetyloxyethenylamino)acetic acid?
The InChIKey is ZATBRYYNMCAHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-5(8)11-3-2-7-4-6(9)10/h2-3,7H,4H2,1H3,(H,9,10).
What are the key properties of 2-(2-acetyloxyethenylamino)acetic acid?
2-(2-acetyloxyethenylamino)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyethenylamino)acetic acid is sourced from PubChem (CID 152617117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).