2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid

C11H13N3O5 — CID 67632741

IUPAC2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C11H12N2O2.HNO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;2-1(3)4/h1-4,6,9,13H,5,12H2,(H,14,15);(H,2,3,4)
InChIKeyBXIOQSFKRYGGRQ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid

2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid (PubChem CID 67632741) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
PubChem CID67632741
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C11H12N2O2.HNO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;2-1(3)4/h1-4,6,9,13H,5,12H2,(H,14,15);(H,2,3,4)
InChIKeyBXIOQSFKRYGGRQ-UHFFFAOYSA-N
XLogP0.77
TPSA142.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;phenol
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2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
2-amino-3-(1H-indol-3-yl)propanoic acid;sulfuric acid
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acetaldehyde;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid (CID 67632741) is 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid is NC(Cc1c[nH]c2ccccc12)C(=O)O.O=[N+]([O-])O.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid?
The InChIKey is BXIOQSFKRYGGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.HNO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;2-1(3)4/h1-4,6,9,13H,5,12H2,(H,14,15);(H,2,3,4).
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid?
2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid has a molecular weight of 267.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanoic acid;nitric acid is sourced from PubChem (CID 67632741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).