2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid

C15H18ClNO2 — CID 106987790

IUPAC2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESNc1ccc(Cl)cc1C(C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H18ClNO2/c16-10-3-4-13(17)12(7-10)14(15(18)19)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14H,1-2,5-6,17H2,(H,18,19)
InChIKeyAXIWUCBYZMCYCV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.53
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid

2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid (PubChem CID 106987790) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
PubChem CID106987790
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
SMILESNc1ccc(Cl)cc1C(C(=O)O)C1CC2CCC1C2
InChIInChI=1S/C15H18ClNO2/c16-10-3-4-13(17)12(7-10)14(15(18)19)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14H,1-2,5-6,17H2,(H,18,19)
InChIKeyAXIWUCBYZMCYCV-UHFFFAOYSA-N
XLogP3.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid (CID 106987790) is 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid is Nc1ccc(Cl)cc1C(C(=O)O)C1CC2CCC1C2.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
The InChIKey is AXIWUCBYZMCYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-10-3-4-13(17)12(7-10)14(15(18)19)11-6-8-1-2-9(11)5-8/h3-4,7-9,11,14H,1-2,5-6,17H2,(H,18,19).
What are the key properties of 2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid?
2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid has a molecular weight of 279.77 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-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid is sourced from PubChem (CID 106987790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).