2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate

C11H11N2O4- — CID 75107009

IUPAC2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate
SMILESO=C([O-])C(Cc1c[nH]c2ccccc12)N(O)O
InChIInChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/p-1
InChIKeyFKJQZUQEYSGYFZ-UHFFFAOYSA-M
MW235.22 g/mol
LogP-0.09
Rot. Bonds4

About 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate

2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate (PubChem CID 75107009) has the molecular formula C11H11N2O4- and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate
PubChem CID75107009
Molecular FormulaC11H11N2O4-
Molecular Weight235.22 g/mol
Exact Mass235.07
IUPAC Name2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate
SMILESO=C([O-])C(Cc1c[nH]c2ccccc12)N(O)O
InChIInChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/p-1
InChIKeyFKJQZUQEYSGYFZ-UHFFFAOYSA-M
XLogP-0.09
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
CID 6920148
tris((2S)-2-amino-3-(1H-indol-3-yl)propanoate);chromium(3+)
CID 172797922
(2S)-2-(hydroxyamino)-3-(1H-indol-3-yl)propanoate
CID 45266744
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
ethyl 2-(diacetylamino)-3-(1H-indol-3-yl)propanoate
CID 66881182
1-(1H-indol-3-yl)butan-2-ylazanium acetate
CID 26411
copper;(2S)-2-amino-3-(1H-indol-3-yl)propanoate;(2S)-2-amino-3-phenylpropanoate
CID 10252147
2-[di(propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 11845681
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-indol-3-yl)propanoate
CID 4518578
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate?
The IUPAC name of 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate (CID 75107009) is 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate is O=C([O-])C(Cc1c[nH]c2ccccc12)N(O)O.
What is the InChIKey of 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate?
The InChIKey is FKJQZUQEYSGYFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O4/c14-11(15)10(13(16)17)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12,16-17H,5H2,(H,14,15)/p-1.
What are the key properties of 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate?
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate has a molecular weight of 235.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 75107009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).