4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid

C11H13ClFNO2 — CID 62962230

IUPAC4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c12-9-2-1-3-10(13)8(9)6-7(14)4-5-11(15)16/h1-3,7H,4-6,14H2,(H,15,16)
InChIKeyKZTKFEOFLSJUNU-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.21
Rot. Bonds5

About 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid

4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid (PubChem CID 62962230) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
PubChem CID62962230
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c12-9-2-1-3-10(13)8(9)6-7(14)4-5-11(15)16/h1-3,7H,4-6,14H2,(H,15,16)
InChIKeyKZTKFEOFLSJUNU-UHFFFAOYSA-N
XLogP2.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
CID 42327538
4-butoxy-1-(2-chloro-6-fluorophenyl)butan-2-amine
CID 55145226
5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
CID 82086344
4-(2-chloro-6-fluorophenyl)-3-cyclopropylbutanoic acid
CID 82089060
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
CID 117472463

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid?
The IUPAC name of 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid (CID 62962230) is 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid?
The canonical SMILES for 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid is NC(CCC(=O)O)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid?
The InChIKey is KZTKFEOFLSJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-9-2-1-3-10(13)8(9)6-7(14)4-5-11(15)16/h1-3,7H,4-6,14H2,(H,15,16).
What are the key properties of 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid?
4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid has a molecular weight of 245.68 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid is sourced from PubChem (CID 62962230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).