(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid

C25H23ClN2O6 — CID 71111524

IUPAC(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)c1ccccc1-c1ccnc(C(=O)N[C@H](Cc2ccccc2Cl)[C@@H](O)C(=O)O)c1
InChIInChI=1S/C25H23ClN2O6/c1-2-34-25(33)18-9-5-4-8-17(18)15-11-12-27-21(13-15)23(30)28-20(22(29)24(31)32)14-16-7-3-6-10-19(16)26/h3-13,20,22,29H,2,14H2,1H3,(H,28,30)(H,31,32)/t20-,22-/m1/s1
InChIKeySRVNBRHUQGDHAL-IFMALSPDSA-N
MW482.92 g/mol
LogP3.37
Rot. Bonds9

About (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid

(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 71111524) has the molecular formula C25H23ClN2O6 and a molecular weight of 482.92 g/mol. Its IUPAC name is (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID71111524
Molecular FormulaC25H23ClN2O6
Molecular Weight482.92 g/mol
Exact Mass482.12
IUPAC Name(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)c1ccccc1-c1ccnc(C(=O)N[C@H](Cc2ccccc2Cl)[C@@H](O)C(=O)O)c1
InChIInChI=1S/C25H23ClN2O6/c1-2-34-25(33)18-9-5-4-8-17(18)15-11-12-27-21(13-15)23(30)28-20(22(29)24(31)32)14-16-7-3-6-10-19(16)26/h3-13,20,22,29H,2,14H2,1H3,(H,28,30)(H,31,32)/t20-,22-/m1/s1
InChIKeySRVNBRHUQGDHAL-IFMALSPDSA-N
XLogP3.37
TPSA125.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid (CID 71111524) is (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid is CCOC(=O)c1ccccc1-c1ccnc(C(=O)N[C@H](Cc2ccccc2Cl)[C@@H](O)C(=O)O)c1.
What is the InChIKey of (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is SRVNBRHUQGDHAL-IFMALSPDSA-N. The full InChI is InChI=1S/C25H23ClN2O6/c1-2-34-25(33)18-9-5-4-8-17(18)15-11-12-27-21(13-15)23(30)28-20(22(29)24(31)32)14-16-7-3-6-10-19(16)26/h3-13,20,22,29H,2,14H2,1H3,(H,28,30)(H,31,32)/t20-,22-/m1/s1.
What are the key properties of (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid?
(2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 482.92 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(2-chlorophenyl)-3-[[4-(2-ethoxycarbonylphenyl)pyridine-2-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 71111524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).