hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid

C16H23N3O4 — CID 70007907

IUPAChydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
SMILESNO.O=C(O)CCCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3.H3NO/c19-15(17-9-5-1-2-8-16(20)21)10-12-11-18-14-7-4-3-6-13(12)14;1-2/h3-4,6-7,11,18H,1-2,5,8-10H2,(H,17,19)(H,20,21);2H,1H2
InChIKeyAFRCHLDJDOAFHY-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.81
Rot. Bonds8

About hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid

hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid (PubChem CID 70007907) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Namehydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
PubChem CID70007907
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Namehydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
SMILESNO.O=C(O)CCCCCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3.H3NO/c19-15(17-9-5-1-2-8-16(20)21)10-12-11-18-14-7-4-3-6-13(12)14;1-2/h3-4,6-7,11,18H,1-2,5,8-10H2,(H,17,19)(H,20,21);2H,1H2
InChIKeyAFRCHLDJDOAFHY-UHFFFAOYSA-N
XLogP1.81
TPSA128.44 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
3-(1H-indol-3-yl)-N-pentylpropanamide;3-(1H-indol-3-yl)propanoic acid;pentan-1-amine
CID 159813673
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid (CID 70007907) is hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid is NO.O=C(O)CCCCCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is AFRCHLDJDOAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.H3NO/c19-15(17-9-5-1-2-8-16(20)21)10-12-11-18-14-7-4-3-6-13(12)14;1-2/h3-4,6-7,11,18H,1-2,5,8-10H2,(H,17,19)(H,20,21);2H,1H2.
What are the key properties of hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid?
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 321.38 g/mol, XLogP of 1.81, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 70007907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).