(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid

C9H11FN2O2 — CID 55271961

IUPAC(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
SMILESCc1nc([C@@H](N)CC(=O)O)ccc1F
InChIInChI=1S/C9H11FN2O2/c1-5-6(10)2-3-8(12-5)7(11)4-9(13)14/h2-3,7H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPUESHZKDJKIVLD-ZETCQYMHSA-N
MW198.20 g/mol
LogP1.00
Rot. Bonds3

About (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid

(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid (PubChem CID 55271961) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
PubChem CID55271961
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
SMILESCc1nc([C@@H](N)CC(=O)O)ccc1F
InChIInChI=1S/C9H11FN2O2/c1-5-6(10)2-3-8(12-5)7(11)4-9(13)14/h2-3,7H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyPUESHZKDJKIVLD-ZETCQYMHSA-N
XLogP1.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-6-methyl-2-pyridinyl)-2-methoxyethanamine
CID 55292661
(1S)-1-(5-fluoro-6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293036
1-(5-fluoro-6-methyl-2-pyridinyl)pentan-1-amine
CID 55268522
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
3-amino-3-(5-cyano-6-methylsulfanyl-2-pyridinyl)propanoic acid
CID 170872659
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
CID 91844833
(3R)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 55270490
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
6-butan-2-yl-3-fluoro-2-methylpyridine
CID 134461280

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid (CID 55271961) is (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid is Cc1nc([C@@H](N)CC(=O)O)ccc1F.
What is the InChIKey of (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid?
The InChIKey is PUESHZKDJKIVLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5-6(10)2-3-8(12-5)7(11)4-9(13)14/h2-3,7H,4,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid?
(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 55271961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).