3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid

C6H7NO3 — CID 159268296

IUPAC3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid
SMILESNC1=CCC(C(=O)O)=C1O
InChIInChI=1S/C6H7NO3/c7-4-2-1-3(5(4)8)6(9)10/h2,8H,1,7H2,(H,9,10)
InChIKeyOFHPDBVVGRGGCR-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.13
Rot. Bonds1

About 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid

3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid (PubChem CID 159268296) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid
PubChem CID159268296
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid
SMILESNC1=CCC(C(=O)O)=C1O
InChIInChI=1S/C6H7NO3/c7-4-2-1-3(5(4)8)6(9)10/h2,8H,1,7H2,(H,9,10)
InChIKeyOFHPDBVVGRGGCR-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-hydroxycyclopenta-1,3-diene-1-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 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid?
The IUPAC name of 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid (CID 159268296) is 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid?
The canonical SMILES for 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid is NC1=CCC(C(=O)O)=C1O.
What is the InChIKey of 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid?
The InChIKey is OFHPDBVVGRGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-4-2-1-3(5(4)8)6(9)10/h2,8H,1,7H2,(H,9,10).
What are the key properties of 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid?
3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxycyclopenta-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 159268296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).