2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid

C14H17ClFNO2 — CID 60833804

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClFNO2/c15-13-7-11(16)6-5-10(13)8-17(9-14(18)19)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,18,19)
InChIKeyABZDYYAYOWGACZ-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.31
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid

2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid (PubChem CID 60833804) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid
PubChem CID60833804
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1Cl)C1CCCC1
InChIInChI=1S/C14H17ClFNO2/c15-13-7-11(16)6-5-10(13)8-17(9-14(18)19)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,18,19)
InChIKeyABZDYYAYOWGACZ-UHFFFAOYSA-N
XLogP3.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid (CID 60833804) is 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1Cl)C1CCCC1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The InChIKey is ABZDYYAYOWGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-13-7-11(16)6-5-10(13)8-17(9-14(18)19)12-3-1-2-4-12/h5-7,12H,1-4,8-9H2,(H,18,19).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid?
2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid has a molecular weight of 285.75 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 60833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).