1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid

C8H10N2O3 — CID 175241603

IUPAC1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(C)n(N)c1C=O
InChIInChI=1S/C8H10N2O3/c1-4-6(3-11)10(9)5(2)7(4)8(12)13/h3H,9H2,1-2H3,(H,12,13)
InChIKeyUBTHXPGJUSSXOR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.33
Rot. Bonds2

About 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid

1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid (PubChem CID 175241603) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid
PubChem CID175241603
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(C)n(N)c1C=O
InChIInChI=1S/C8H10N2O3/c1-4-6(3-11)10(9)5(2)7(4)8(12)13/h3H,9H2,1-2H3,(H,12,13)
InChIKeyUBTHXPGJUSSXOR-UHFFFAOYSA-N
XLogP0.33
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid (CID 175241603) is 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)c(C)n(N)c1C=O.
What is the InChIKey of 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid?
The InChIKey is UBTHXPGJUSSXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-6(3-11)10(9)5(2)7(4)8(12)13/h3H,9H2,1-2H3,(H,12,13).
What are the key properties of 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid?
1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-formyl-2,4-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 175241603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).