1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

C10H14N4O3 — CID 136776188

IUPAC1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c11-10-12-7(5-8(15)13-10)14-3-1-6(2-4-14)9(16)17/h5-6H,1-4H2,(H,16,17)(H3,11,12,13,15)
InChIKeyAVOMZLGAOQABDZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds2

About 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid

1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 136776188) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID136776188
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c11-10-12-7(5-8(15)13-10)14-3-1-6(2-4-14)9(16)17/h5-6H,1-4H2,(H,16,17)(H3,11,12,13,15)
InChIKeyAVOMZLGAOQABDZ-UHFFFAOYSA-N
XLogP-0.35
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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-(6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136741442
Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylate
CID 135646540
1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135127257
1-(4-Amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid
CID 170957541
1-(2,6-Dihydroxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 99727756
1-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135629609
1-(4-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxamide
CID 135646539
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 135708180
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136672026
(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
[1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]acetic acid
CID 136776191

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 136776188) is 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1nc(N2CCC(C(=O)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is AVOMZLGAOQABDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10-12-7(5-8(15)13-10)14-3-1-6(2-4-14)9(16)17/h5-6H,1-4H2,(H,16,17)(H3,11,12,13,15).
What are the key properties of 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 136776188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).