2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid

C14H17ClFNO2 — CID 65058356

IUPAC2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)c(F)c1)C1CCCC1
InChIInChI=1S/C14H17ClFNO2/c15-12-6-5-10(7-13(12)16)8-17(9-14(18)19)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19)
InChIKeyQLGSRWSCLNHHBU-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.31
Rot. Bonds5

About 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid

2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid (PubChem CID 65058356) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
PubChem CID65058356
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)c(F)c1)C1CCCC1
InChIInChI=1S/C14H17ClFNO2/c15-12-6-5-10(7-13(12)16)8-17(9-14(18)19)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19)
InChIKeyQLGSRWSCLNHHBU-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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Related Compounds

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CID 138037839
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CID 39401965
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
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2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]acetic acid
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2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170
2-[(3,4-difluorophenyl)methyl-[1-(ethylcarbamoyl)piperidin-4-yl]amino]acetic acid
CID 128998424
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
2-[(5-chlorothiophen-2-yl)methyl-cyclopentylamino]acetic acid
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2-[(4-bromo-3-fluorophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 81441596
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid (CID 65058356) is 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid is O=C(O)CN(Cc1ccc(Cl)c(F)c1)C1CCCC1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid?
The InChIKey is QLGSRWSCLNHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-6-5-10(7-13(12)16)8-17(9-14(18)19)11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19).
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid?
2-[(4-chloro-3-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-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 65058356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).