(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid

C8H9FN2O2 — CID 10330017

IUPAC(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccc(F)nc1)C(=O)O
InChIInChI=1S/C8H9FN2O2/c9-7-2-1-5(4-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1
InChIKeyPSPBMVIGHPBZQZ-LURJTMIESA-N
MW184.17 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid

(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid (PubChem CID 10330017) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
PubChem CID10330017
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@@H](Cc1ccc(F)nc1)C(=O)O
InChIInChI=1S/C8H9FN2O2/c9-7-2-1-5(4-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1
InChIKeyPSPBMVIGHPBZQZ-LURJTMIESA-N
XLogP0.18
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
CID 170110433
2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
CID 137361047
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-[4-[deuterio(fluoro)methyl]phenyl]propanoic acid
CID 139665343
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid (CID 10330017) is (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid is N[C@@H](Cc1ccc(F)nc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is PSPBMVIGHPBZQZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7-2-1-5(4-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid?
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 10330017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).