(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium

C7H8N3O3+ — CID 87420131

IUPAC(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium
SMILESC[N+](=O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C7H7N3O3/c1-10(13)5-2-4(7(11)12)3-9-6(5)8/h2-3H,1H3,(H2-,8,9,11,12,13)/p+1
InChIKeyDSFXEUZFRYFVJX-UHFFFAOYSA-O
MW182.16 g/mol
LogP0.40
Rot. Bonds2

About (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium

(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium (PubChem CID 87420131) has the molecular formula C7H8N3O3+ and a molecular weight of 182.16 g/mol. Its IUPAC name is (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium.

Molecular Properties

Compound Name(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium
PubChem CID87420131
Molecular FormulaC7H8N3O3+
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium
SMILESC[N+](=O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C7H7N3O3/c1-10(13)5-2-4(7(11)12)3-9-6(5)8/h2-3H,1H3,(H2-,8,9,11,12,13)/p+1
InChIKeyDSFXEUZFRYFVJX-UHFFFAOYSA-O
XLogP0.40
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium?
The IUPAC name of (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium (CID 87420131) is (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium.
What is the SMILES notation for (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium?
The canonical SMILES for (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium is C[N+](=O)c1cc(C(=O)O)cnc1N.
What is the InChIKey of (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium?
The InChIKey is DSFXEUZFRYFVJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7N3O3/c1-10(13)5-2-4(7(11)12)3-9-6(5)8/h2-3H,1H3,(H2-,8,9,11,12,13)/p+1.
What are the key properties of (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium?
(2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium has a molecular weight of 182.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-carboxy-3-pyridinyl)-methyl-oxoazanium is sourced from PubChem (CID 87420131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).