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

C11H16N4O3 — CID 136776191

IUPAC2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
SMILESNc1nc(N2CCC(CC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-11-13-8(6-9(16)14-11)15-3-1-7(2-4-15)5-10(17)18/h6-7H,1-5H2,(H,17,18)(H3,12,13,14,16)
InChIKeyGKFIUXMFZKKPON-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds3

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

2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid (PubChem CID 136776191) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
PubChem CID136776191
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid
SMILESNc1nc(N2CCC(CC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c12-11-13-8(6-9(16)14-11)15-3-1-7(2-4-15)5-10(17)18/h6-7H,1-5H2,(H,17,18)(H3,12,13,14,16)
InChIKeyGKFIUXMFZKKPON-UHFFFAOYSA-N
XLogP0.04
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-3-carboxylate
CID 135646541
ethyl (3R)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
CID 135895049
ethyl (3S)-1-(4-amino-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylate
CID 135895050
1-(4-Hydroxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135968960
1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136776188
(3S)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776189
(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776190
(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136827874
(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136827875
(3S)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914107
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914109

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid (CID 136776191) is 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid is Nc1nc(N2CCC(CC(=O)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
The InChIKey is GKFIUXMFZKKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-11-13-8(6-9(16)14-11)15-3-1-7(2-4-15)5-10(17)18/h6-7H,1-5H2,(H,17,18)(H3,12,13,14,16).
What are the key properties of 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid?
2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 136776191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).