2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid

C10H14N4O3 — CID 136959155

IUPAC2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
SMILESNc1c(N2CCC(CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14-2-1-6(4-14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyMPDFVRWAZBQMLU-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds3

About 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid

2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 136959155) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
PubChem CID136959155
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
SMILESNc1c(N2CCC(CC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14-2-1-6(4-14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyMPDFVRWAZBQMLU-UHFFFAOYSA-N
XLogP-0.35
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135575738
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689836
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792244
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 136880682
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958314
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958321
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-ethylpyrrolidine-3-carboxylic acid
CID 136958882
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136958915
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958936
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 136959002
2-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid
CID 136959156

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid (CID 136959155) is 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid is Nc1c(N2CCC(CC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is MPDFVRWAZBQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-8-9(12-5-13-10(8)17)14-2-1-6(4-14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 238.25 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 136959155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).