1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid

C8H9N3O3 — CID 83857331

IUPAC1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CC2)[nH]c(=O)n1
InChIInChI=1S/C8H9N3O3/c9-5-3-4(10-7(14)11-5)8(1-2-8)6(12)13/h3H,1-2H2,(H,12,13)(H3,9,10,11,14)
InChIKeyQBGZQCQFSSUMPF-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.53
Rot. Bonds2

About 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid

1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid (PubChem CID 83857331) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
PubChem CID83857331
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CC2)[nH]c(=O)n1
InChIInChI=1S/C8H9N3O3/c9-5-3-4(10-7(14)11-5)8(1-2-8)6(12)13/h3H,1-2H2,(H,12,13)(H3,9,10,11,14)
InChIKeyQBGZQCQFSSUMPF-UHFFFAOYSA-N
XLogP-0.53
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-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

Related Compounds

1-(2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 82409226
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclobutane-1-carboxylic acid
CID 83857332
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857337
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857355
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid
CID 136327567

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid (CID 83857331) is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid is Nc1cc(C2(C(=O)O)CC2)[nH]c(=O)n1.
What is the InChIKey of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QBGZQCQFSSUMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-5-3-4(10-7(14)11-5)8(1-2-8)6(12)13/h3H,1-2H2,(H,12,13)(H3,9,10,11,14).
What are the key properties of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83857331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).