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

C15H17FN2O2 — CID 60833177

IUPAC2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESN#Cc1ccc(CN(CC(=O)O)C2CCCC2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c16-14-7-11(8-17)5-6-12(14)9-18(10-15(19)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H,19,20)
InChIKeyODACOGDSROYCJF-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.53
Rot. Bonds5

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

2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid (PubChem CID 60833177) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
PubChem CID60833177
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESN#Cc1ccc(CN(CC(=O)O)C2CCCC2)c(F)c1
InChIInChI=1S/C15H17FN2O2/c16-14-7-11(8-17)5-6-12(14)9-18(10-15(19)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H,19,20)
InChIKeyODACOGDSROYCJF-UHFFFAOYSA-N
XLogP2.53
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopentyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43213307
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 55045230
4-[[cycloheptyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 43409299
2-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]acetic acid
CID 114850884
2-[(4-cyano-2-fluorophenyl)methyl-prop-2-enylamino]acetic acid
CID 79277564
2-[cyclobutyl-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]amino]acetic acid
CID 138037839
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
2-[(2-butoxy-2-oxoethyl)-[(4-cyano-2-fluorophenyl)methyl]amino]acetic acid
CID 175859507
3-[[(4-cyano-2-fluorophenyl)methyl-cyclopropylamino]methyl]-N-(4-cyanophenyl)benzamide
CID 90237647
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
4-[(4-cyano-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 55006024
2-[[3-(4-cyano-2-fluoroanilino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061571

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid (CID 60833177) is 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid is N#Cc1ccc(CN(CC(=O)O)C2CCCC2)c(F)c1.
What is the InChIKey of 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The InChIKey is ODACOGDSROYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-14-7-11(8-17)5-6-12(14)9-18(10-15(19)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H,19,20).
What are the key properties of 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid?
2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid has a molecular weight of 276.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 60833177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).