1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid

C11H13N3O5 — CID 43209503

IUPAC1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-8-6(5-12-11(19)13-8)9(16)14-4-2-1-3-7(14)10(17)18/h5,7H,1-4H2,(H,17,18)(H2,12,13,15,19)
InChIKeyWUOXAIDEKDKSFR-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.86
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid

1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43209503) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID43209503
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-8-6(5-12-11(19)13-8)9(16)14-4-2-1-3-7(14)10(17)18/h5,7H,1-4H2,(H,17,18)(H2,12,13,15,19)
InChIKeyWUOXAIDEKDKSFR-UHFFFAOYSA-N
XLogP-0.86
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoethyllysine-carbonylmethylene-thymine
CID 5289433
6-[5-{[(Carboxymethyl)amino]carbonyl}-3-cyclohexyl-6-hydroxy-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]hexanoic acid
CID 24831033
2-(5-Methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 70286731
1-[(2,4,6-Trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]pyrrolidine-2-carboxyli c acid
CID 20787414
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 28773268
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773276
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 28773278
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773314
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773324
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773326
(2S,3S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 28773336

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid (CID 43209503) is 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is WUOXAIDEKDKSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-6(5-12-11(19)13-8)9(16)14-4-2-1-3-7(14)10(17)18/h5,7H,1-4H2,(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43209503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).