[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium

C11H12N2O3 — CID 141482049

IUPAC[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)[NH2+][O-]
InChIInChI=1S/C11H12N2O3/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12H,5,13H2,(H,14,15)/t10-/m1/s1
InChIKeyPRNNJAZGQMYFEU-SNVBAGLBSA-N
MW220.23 g/mol
LogP0.22
Rot. Bonds4

About [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium

[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium (PubChem CID 141482049) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium.

Molecular Properties

Compound Name[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium
PubChem CID141482049
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)[NH2+][O-]
InChIInChI=1S/C11H12N2O3/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12H,5,13H2,(H,14,15)/t10-/m1/s1
InChIKeyPRNNJAZGQMYFEU-SNVBAGLBSA-N
XLogP0.22
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
CID 6920148
(2R)-3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
CID 21014124
(2S)-3-(1H-indol-3-yl)-2-methylsulfanylpropanoic acid
CID 167000700
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium?
The IUPAC name of [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium (CID 141482049) is [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium.
What is the SMILES notation for [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium?
The canonical SMILES for [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium is O=C(O)[C@@H](Cc1c[nH]c2ccccc12)[NH2+][O-].
What is the InChIKey of [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium?
The InChIKey is PRNNJAZGQMYFEU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11(15)10(13-16)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12H,5,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium?
[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium has a molecular weight of 220.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium is sourced from PubChem (CID 141482049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).