2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid

C18H17NO2 — CID 103232769

IUPAC2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17NO2/c20-18(21)16-7-8-17(16)19-13-5-6-15-12(10-13)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,19H,7-9H2,(H,20,21)
InChIKeyBJDFWSCXKSVTKZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.53
Rot. Bonds3

About 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid

2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103232769) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103232769
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17NO2/c20-18(21)16-7-8-17(16)19-13-5-6-15-12(10-13)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,19H,7-9H2,(H,20,21)
InChIKeyBJDFWSCXKSVTKZ-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid (CID 103232769) is 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is BJDFWSCXKSVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(21)16-7-8-17(16)19-13-5-6-15-12(10-13)9-11-3-1-2-4-14(11)15/h1-6,10,16-17,19H,7-9H2,(H,20,21).
What are the key properties of 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid?
2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103232769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).