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

C9H13N5O3 — CID 136689861

IUPAC3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1c(N2CCC(N)(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N5O3/c10-5-6(12-4-13-7(5)15)14-2-1-9(11,3-14)8(16)17/h4H,1-3,10-11H2,(H,16,17)(H,12,13,15)
InChIKeyIPFQXWVSBBHJCT-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.66
Rot. Bonds2

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

3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136689861) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136689861
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNc1c(N2CCC(N)(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N5O3/c10-5-6(12-4-13-7(5)15)14-2-1-9(11,3-14)8(16)17/h4H,1-3,10-11H2,(H,16,17)(H,12,13,15)
InChIKeyIPFQXWVSBBHJCT-UHFFFAOYSA-N
XLogP-1.66
TPSA138.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-amino-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)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136958911
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689836
3-amino-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689857
3-amino-1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689862
3-amino-1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689863
3-amino-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689864
3-amino-1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689865
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794230
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 136958877
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 136958882
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136958915

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136689861) is 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Nc1c(N2CCC(N)(C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IPFQXWVSBBHJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-5-6(12-4-13-7(5)15)14-2-1-9(11,3-14)8(16)17/h4H,1-3,10-11H2,(H,16,17)(H,12,13,15).
What are the key properties of 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136689861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).