2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid

C10H13FN2O3 — CID 69488680

IUPAC2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid
SMILESCC(F)c1cc(O)cnc1CC(N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-5(11)7-2-6(14)4-13-9(7)3-8(12)10(15)16/h2,4-5,8,14H,3,12H2,1H3,(H,15,16)
InChIKeyUYOHKUMXRSSYMZ-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid

2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid (PubChem CID 69488680) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid
PubChem CID69488680
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid
SMILESCC(F)c1cc(O)cnc1CC(N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-5(11)7-2-6(14)4-13-9(7)3-8(12)10(15)16/h2,4-5,8,14H,3,12H2,1H3,(H,15,16)
InChIKeyUYOHKUMXRSSYMZ-UHFFFAOYSA-N
XLogP0.77
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
CID 18439519
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694277
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
CID 84681612
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
2-amino-3-[2,5-dihydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117416529
(2S)-2-amino-3-(3-chloro-4-hydroxy-5-propan-2-ylphenyl)propanoic acid
CID 139968561

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid (CID 69488680) is 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid is CC(F)c1cc(O)cnc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid?
The InChIKey is UYOHKUMXRSSYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-5(11)7-2-6(14)4-13-9(7)3-8(12)10(15)16/h2,4-5,8,14H,3,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid?
2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid has a molecular weight of 228.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid is sourced from PubChem (CID 69488680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).