(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid

C10H10Cl2N2O4 — CID 114037237

IUPAC(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2N2O4/c1-4(15)8(10(17)18)14-9(16)5-2-7(12)13-3-6(5)11/h2-4,8,15H,1H3,(H,14,16)(H,17,18)/t4-,8+/m1/s1
InChIKeySDJXWMFJTZEEBJ-VHWMUFPASA-N
MW293.11 g/mol
LogP0.95
Rot. Bonds4

About (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 114037237) has the molecular formula C10H10Cl2N2O4 and a molecular weight of 293.11 g/mol. Its IUPAC name is (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID114037237
Molecular FormulaC10H10Cl2N2O4
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O
InChIInChI=1S/C10H10Cl2N2O4/c1-4(15)8(10(17)18)14-9(16)5-2-7(12)13-3-6(5)11/h2-4,8,15H,1H3,(H,14,16)(H,17,18)/t4-,8+/m1/s1
InChIKeySDJXWMFJTZEEBJ-VHWMUFPASA-N
XLogP0.95
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-2-[(pyridine-4-carbonyl)-amino]-propionic acid
CID 3102737
3-chloro-N-(2,2-diethyl-4-hydroxybutyl)pyridine-4-carboxamide
CID 71848794
3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 75483760
3-chloro-N-[trans-3-methoxytetrahydro-2H-pyran-4-yl]isonicotinamide
CID 91781029
3-chloro-N-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]isonicotinamide
CID 131934954
2-Chloro-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 86639188
3-Methyl-2-(pyridin-4-ylformamido)butanoic acid
CID 4483390
Methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoate
CID 61293999
2-[(3-Fluoropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 64950264
(2S)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 64951259
Methyl 2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoate
CID 64951491
2-[(3-Fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 64951645

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid (CID 114037237) is (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is SDJXWMFJTZEEBJ-VHWMUFPASA-N. The full InChI is InChI=1S/C10H10Cl2N2O4/c1-4(15)8(10(17)18)14-9(16)5-2-7(12)13-3-6(5)11/h2-4,8,15H,1H3,(H,14,16)(H,17,18)/t4-,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 293.11 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 114037237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).