1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C9H12N4O3 — CID 136958827

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-2-1-5(3-13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyRZDSYJQEQYGBCH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.74
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958827) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958827
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1c(N2CCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-2-1-5(3-13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyRZDSYJQEQYGBCH-UHFFFAOYSA-N
XLogP-0.74
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-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

Related Compounds

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)azepane-2-carboxylic acid
CID 137015830
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959131
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
5-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135575716

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958827) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Nc1c(N2CCC(C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RZDSYJQEQYGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-2-1-5(3-13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).