1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C9H10N4O3 — CID 168692302

IUPAC1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cncnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H10N4O3/c10-6-2-11-4-12-8(6)13-3-5(9(15)16)1-7(13)14/h2,4-5H,1,3,10H2,(H,15,16)
InChIKeyCFKDQHXFTWGVOD-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.50
Rot. Bonds2

About 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692302) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692302
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cncnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H10N4O3/c10-6-2-11-4-12-8(6)13-3-5(9(15)16)1-7(13)14/h2,4-5H,1,3,10H2,(H,15,16)
InChIKeyCFKDQHXFTWGVOD-UHFFFAOYSA-N
XLogP-0.50
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695356
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
5-oxo-1-(7H-purin-6-yl)pyrrolidine-3-carboxylic acid
CID 168692424
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691547
1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
CID 127008831

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692302) is 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is Nc1cncnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is CFKDQHXFTWGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-6-2-11-4-12-8(6)13-3-5(9(15)16)1-7(13)14/h2,4-5H,1,3,10H2,(H,15,16).
What are the key properties of 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).