(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid

C9H9FN2O4 — CID 80751208

IUPAC(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccncc1F
InChIInChI=1S/C9H9FN2O4/c10-6-3-11-2-1-5(6)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeySZIKYOWLASEGHV-SSDOTTSWSA-N
MW228.18 g/mol
LogP-0.60
Rot. Bonds4

About (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 80751208) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID80751208
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1ccncc1F
InChIInChI=1S/C9H9FN2O4/c10-6-3-11-2-1-5(6)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeySZIKYOWLASEGHV-SSDOTTSWSA-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

(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 64950275
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 24690745
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
CID 80749154
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid (CID 80751208) is (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid is O=C(N[C@H](CO)C(=O)O)c1ccncc1F.
What is the InChIKey of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is SZIKYOWLASEGHV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-6-3-11-2-1-5(6)8(14)12-7(4-13)9(15)16/h1-3,7,13H,4H2,(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(3-fluoropyridine-4-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 (2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).