(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid

C17H23FN2O5S — CID 18396079

IUPAC(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(O)S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-12(2)11-16(17(21)22)20(23)26(24,25)19-9-7-14(8-10-19)13-3-5-15(18)6-4-13/h3-7,12,16,23H,8-11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyJHUATVQLWGBXRM-MRXNPFEDSA-N
MW386.45 g/mol
LogP2.35
Rot. Bonds7

About (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid

(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid (PubChem CID 18396079) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid
PubChem CID18396079
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(O)S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-12(2)11-16(17(21)22)20(23)26(24,25)19-9-7-14(8-10-19)13-3-5-15(18)6-4-13/h3-7,12,16,23H,8-11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyJHUATVQLWGBXRM-MRXNPFEDSA-N
XLogP2.35
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid (CID 18396079) is (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(O)S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid?
The InChIKey is JHUATVQLWGBXRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-12(2)11-16(17(21)22)20(23)26(24,25)19-9-7-14(8-10-19)13-3-5-15(18)6-4-13/h3-7,12,16,23H,8-11H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid?
(2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid has a molecular weight of 386.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl-hydroxyamino]-4-methylpentanoic acid is sourced from PubChem (CID 18396079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).