2-[acetyl(prop-2-ynyl)amino]acetic acid

C7H9NO3 — CID 18668502

IUPAC2-[acetyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(C)=O
InChIInChI=1S/C7H9NO3/c1-3-4-8(6(2)9)5-7(10)11/h1H,4-5H2,2H3,(H,10,11)
InChIKeyOQZBBJVKBIBPLQ-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.45
Rot. Bonds3

About 2-[acetyl(prop-2-ynyl)amino]acetic acid

2-[acetyl(prop-2-ynyl)amino]acetic acid (PubChem CID 18668502) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-[acetyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(prop-2-ynyl)amino]acetic acid
PubChem CID18668502
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-[acetyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)C(C)=O
InChIInChI=1S/C7H9NO3/c1-3-4-8(6(2)9)5-7(10)11/h1H,4-5H2,2H3,(H,10,11)
InChIKeyOQZBBJVKBIBPLQ-UHFFFAOYSA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(prop-2-ynyl)amino]acetic acid (CID 18668502) is 2-[acetyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is OQZBBJVKBIBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-4-8(6(2)9)5-7(10)11/h1H,4-5H2,2H3,(H,10,11).
What are the key properties of 2-[acetyl(prop-2-ynyl)amino]acetic acid?
2-[acetyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 155.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 18668502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).