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

C7H10N2O4 — CID 54691721

IUPAC1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESNCCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C7H10N2O4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3,8H2,(H,12,13)
InChIKeyWXMROQQUUOIUEP-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.32
Rot. Bonds3

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

1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691721) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691721
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESNCCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C7H10N2O4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3,8H2,(H,12,13)
InChIKeyWXMROQQUUOIUEP-UHFFFAOYSA-N
XLogP-1.32
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691721) is 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is NCCN1CC(C(=O)O)=C(O)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is WXMROQQUUOIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-1-2-9-3-4(7(12)13)5(10)6(9)11/h10H,1-3,8H2,(H,12,13).
What are the key properties of 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid?
1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).