2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide

C13H15N3O3 — CID 89438792

IUPAC2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
SMILESNOCC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c14-19-8-13(18)16-10(7-17)5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6-7,10,15H,5,8,14H2,(H,16,18)/t10-/m0/s1
InChIKeyNBFCVXVHLWONGD-JTQLQIEISA-N
MW261.28 g/mol
LogP0.28
Rot. Bonds6

About 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide

2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide (PubChem CID 89438792) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
PubChem CID89438792
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
SMILESNOCC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3O3/c14-19-8-13(18)16-10(7-17)5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6-7,10,15H,5,8,14H2,(H,16,18)/t10-/m0/s1
InChIKeyNBFCVXVHLWONGD-JTQLQIEISA-N
XLogP0.28
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide
CID 122692537
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262354
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15289316
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262355
(2S)-3-(1H-indol-3-yl)-2-(1H-indol-3-ylamino)propanal
CID 88877351
methyl 2-[[2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(methylamino)pentanoate
CID 131993392
(2S)-2-amino-N-[(2S)-1-[deuterio-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 123380763
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
2-amino-3-(1H-indol-3-yl)-N-[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]propan-2-yl]propanamide
CID 101012785
(2S)-6-amino-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-2-(4-phenylbutan-2-ylamino)hexanamide
CID 89187839

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The IUPAC name of 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide (CID 89438792) is 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide is NOCC(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
The InChIKey is NBFCVXVHLWONGD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O3/c14-19-8-13(18)16-10(7-17)5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6-7,10,15H,5,8,14H2,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide?
2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]acetamide is sourced from PubChem (CID 89438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).