1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid

C8H10N2O5 — CID 54691720

IUPAC1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESNC(=O)CCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C8H10N2O5/c9-5(11)1-2-10-3-4(8(14)15)6(12)7(10)13/h12H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyNHJYQMAAGWMLJW-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.40
Rot. Bonds4

About 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid

1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691720) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691720
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESNC(=O)CCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C8H10N2O5/c9-5(11)1-2-10-3-4(8(14)15)6(12)7(10)13/h12H,1-3H2,(H2,9,11)(H,14,15)
InChIKeyNHJYQMAAGWMLJW-UHFFFAOYSA-N
XLogP-1.40
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691720) is 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is NC(=O)CCN1CC(C(=O)O)=C(O)C1=O.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is NHJYQMAAGWMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c9-5(11)1-2-10-3-4(8(14)15)6(12)7(10)13/h12H,1-3H2,(H2,9,11)(H,14,15).
What are the key properties of 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).