2-[1-(but-2-enoylamino)cyclobutyl]acetic acid

C10H15NO3 — CID 79848315

IUPAC2-[1-(but-2-enoylamino)cyclobutyl]acetic acid
SMILESCC=CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H15NO3/c1-2-4-8(12)11-10(5-3-6-10)7-9(13)14/h2,4H,3,5-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyQJSLCWYWOMWKIA-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid

2-[1-(but-2-enoylamino)cyclobutyl]acetic acid (PubChem CID 79848315) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(but-2-enoylamino)cyclobutyl]acetic acid
PubChem CID79848315
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[1-(but-2-enoylamino)cyclobutyl]acetic acid
SMILESCC=CC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H15NO3/c1-2-4-8(12)11-10(5-3-6-10)7-9(13)14/h2,4H,3,5-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyQJSLCWYWOMWKIA-UHFFFAOYSA-N
XLogP1.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid (CID 79848315) is 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid is CC=CC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid?
The InChIKey is QJSLCWYWOMWKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-4-8(12)11-10(5-3-6-10)7-9(13)14/h2,4H,3,5-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid?
2-[1-(but-2-enoylamino)cyclobutyl]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(but-2-enoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79848315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).