1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid

C9H15NO2 — CID 81167556

IUPAC1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
SMILESC=CC(C)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-9(8(11)12)5-4-6-9/h3,7,10H,1,4-6H2,2H3,(H,11,12)
InChIKeyWZVXTBDIKHOOOP-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds4

About 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid

1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 81167556) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID81167556
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
SMILESC=CC(C)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO2/c1-3-7(2)10-9(8(11)12)5-4-6-9/h3,7,10H,1,4-6H2,2H3,(H,11,12)
InChIKeyWZVXTBDIKHOOOP-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid (CID 81167556) is 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid is C=CC(C)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is WZVXTBDIKHOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7(2)10-9(8(11)12)5-4-6-9/h3,7,10H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid?
1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).