2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid

C10H11ClFNO2 — CID 16770030

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyRZDVELFLKLIEGH-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.04
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid

2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid (PubChem CID 16770030) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid
PubChem CID16770030
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid
SMILESCC(NCc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyRZDVELFLKLIEGH-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzylalanine
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N-(2,6-dichlorobenzyl)valine
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(2S)-2-[[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]amino]-4-methylpentanoic acid
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2-{[(4-Fluorophenyl)methyl]amino}acetic acid hydrochloride
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(2S)-2-{[(4-chlorophenyl)methyl]amino}propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid (CID 16770030) is 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid is CC(NCc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid?
The InChIKey is RZDVELFLKLIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid?
2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid has a molecular weight of 231.65 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid is sourced from PubChem (CID 16770030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).