2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid

C9H9FN2O4 — CID 104638117

IUPAC2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H9FN2O4/c10-5-1-2-6(11-3-5)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16)
InChIKeyFDSDSJMXOZMMCQ-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.60
Rot. Bonds4

About 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid

2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 104638117) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID104638117
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H9FN2O4/c10-5-1-2-6(11-3-5)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16)
InChIKeyFDSDSJMXOZMMCQ-UHFFFAOYSA-N
XLogP-0.60
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 104638117) is 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)c1ccc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is FDSDSJMXOZMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-5-1-2-6(11-3-5)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 228.18 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104638117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).