(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

C10H14N4O3 — CID 136776190

IUPAC(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1nc(N2CCC[C@@H](C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c11-10-12-7(4-8(15)13-10)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H3,11,12,13,15)/t6-/m1/s1
InChIKeyZRZCGEJZCGOHBL-ZCFIWIBFSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds2

About (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 136776190) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID136776190
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1nc(N2CCC[C@@H](C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O3/c11-10-12-7(4-8(15)13-10)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H3,11,12,13,15)/t6-/m1/s1
InChIKeyZRZCGEJZCGOHBL-ZCFIWIBFSA-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-3-carboxylic acid
CID 136741441
(3S)-1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 136901055
(3R)-1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 136901056
(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135122965
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
2-Amino-6-[3-(hydroxymethyl)piperidin-1-YL]pyrimidin-4(3H)-one
CID 136121124
1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136269228
2-amino-4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733832
2-amino-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136733833

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 136776190) is (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is Nc1nc(N2CCC[C@@H](C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is ZRZCGEJZCGOHBL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-10-12-7(4-8(15)13-10)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H3,11,12,13,15)/t6-/m1/s1.
What are the key properties of (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-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 (3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 136776190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).