2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid

C10H15FN2O3 — CID 69489643

IUPAC2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid
SMILESCC(F)C1(CC(N)C(=O)O)C=CC(O)=CN1
InChIInChI=1S/C10H15FN2O3/c1-6(11)10(4-8(12)9(15)16)3-2-7(14)5-13-10/h2-3,5-6,8,13-14H,4,12H2,1H3,(H,15,16)
InChIKeyNXXWCROWYQZXJB-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid

2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid (PubChem CID 69489643) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid
PubChem CID69489643
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid
SMILESCC(F)C1(CC(N)C(=O)O)C=CC(O)=CN1
InChIInChI=1S/C10H15FN2O3/c1-6(11)10(4-8(12)9(15)16)3-2-7(14)5-13-10/h2-3,5-6,8,13-14H,4,12H2,1H3,(H,15,16)
InChIKeyNXXWCROWYQZXJB-UHFFFAOYSA-N
XLogP0.44
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
3-(4-acetyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-2-aminopropanoic acid
CID 129112069
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
CID 15227560
(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
CID 160632774
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(5S)-2-amino-5-[(2-iodoacetyl)amino]hexanoic acid
CID 122480461
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
(2S)-2-aminopentanedioic acid;benzene
CID 161035359

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid (CID 69489643) is 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid is CC(F)C1(CC(N)C(=O)O)C=CC(O)=CN1.
What is the InChIKey of 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid?
The InChIKey is NXXWCROWYQZXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-6(11)10(4-8(12)9(15)16)3-2-7(14)5-13-10/h2-3,5-6,8,13-14H,4,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid?
2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid has a molecular weight of 230.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(1-fluoroethyl)-5-hydroxy-1H-pyridin-2-yl]propanoic acid is sourced from PubChem (CID 69489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).