hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid

C23H28N2O6S — CID 70165066

IUPAChydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid
SMILESNO.O=C(O)[C@H](CCCc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C23H25NO5S.H3NO/c25-23(26)20(11-6-9-16-7-2-1-3-8-16)24-30(27,28)17-13-14-19-18-10-4-5-12-21(18)29-22(19)15-17;1-2/h1-3,7-8,13-15,20,24H,4-6,9-12H2,(H,25,26);2H,1H2/t20-;/m0./s1
InChIKeyUWRXTARNMKZQKB-BDQAORGHSA-N
MW460.55 g/mol
LogP3.40
Rot. Bonds8

About hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid

hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid (PubChem CID 70165066) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Namehydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid
PubChem CID70165066
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Namehydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid
SMILESNO.O=C(O)[C@H](CCCc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3
InChIInChI=1S/C23H25NO5S.H3NO/c25-23(26)20(11-6-9-16-7-2-1-3-8-16)24-30(27,28)17-13-14-19-18-10-4-5-12-21(18)29-22(19)15-17;1-2/h1-3,7-8,13-15,20,24H,4-6,9-12H2,(H,25,26);2H,1H2/t20-;/m0./s1
InChIKeyUWRXTARNMKZQKB-BDQAORGHSA-N
XLogP3.40
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(phenylsulfamoyl)-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 18386315
2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)propanoic acid
CID 139943090
(2S)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid
CID 12042324
7-[(1-carboxy-4-phenylbutyl)-sulfinatoamino]-1,2,3,4-tetrahydrodibenzofuran
CID 56974954
2-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonylamino)-3-methylbutanoic acid
CID 18386305
2-[2-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-3-yl)ethyl]-8-phenyloctanoic acid
CID 18318874
5-phenyl-2-[sulfino(6,7,8,9-tetrahydrodibenzofuran-3-yl)amino]pentanoic acid
CID 56974955
2-[(2Z)-2-hydroxyimino-2-(6,7,8,9-tetrahydrodibenzofuran-3-yl)ethyl]-8-phenyloctanoic acid
CID 18318898
tert-butyl (2R)-3-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoate
CID 12042322
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid?
The IUPAC name of hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid (CID 70165066) is hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid?
The canonical SMILES for hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid is NO.O=C(O)[C@H](CCCc1ccccc1)NS(=O)(=O)c1ccc2c3c(oc2c1)CCCC3.
What is the InChIKey of hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid?
The InChIKey is UWRXTARNMKZQKB-BDQAORGHSA-N. The full InChI is InChI=1S/C23H25NO5S.H3NO/c25-23(26)20(11-6-9-16-7-2-1-3-8-16)24-30(27,28)17-13-14-19-18-10-4-5-12-21(18)29-22(19)15-17;1-2/h1-3,7-8,13-15,20,24H,4-6,9-12H2,(H,25,26);2H,1H2/t20-;/m0./s1.
What are the key properties of hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid?
hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid has a molecular weight of 460.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;(2S)-5-phenyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 70165066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).