(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid

C10H11ClFNO2 — CID 103047279

IUPAC(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-4-8(11)2-3-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyFBNNAAGBCGPOMK-ZCFIWIBFSA-N
MW231.65 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid

(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid (PubChem CID 103047279) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid
PubChem CID103047279
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid
SMILESC[C@@H](NCc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-4-8(11)2-3-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyFBNNAAGBCGPOMK-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid (CID 103047279) is (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid is C[C@@H](NCc1cc(Cl)ccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid?
The InChIKey is FBNNAAGBCGPOMK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-4-8(11)2-3-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid?
(2R)-2-[(5-chloro-2-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 (2R)-2-[(5-chloro-2-fluorophenyl)methylamino]propanoic acid is sourced from PubChem (CID 103047279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).