2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid

C11H15N3O6S — CID 62689915

IUPAC2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H15N3O6S/c15-9(16)4-7-2-1-3-14(6-7)21(19,20)8-5-12-11(18)13-10(8)17/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,17,18)
InChIKeyAOVIYIVDDKQSAW-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.06
Rot. Bonds4

About 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid

2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid (PubChem CID 62689915) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid
PubChem CID62689915
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H15N3O6S/c15-9(16)4-7-2-1-3-14(6-7)21(19,20)8-5-12-11(18)13-10(8)17/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,17,18)
InChIKeyAOVIYIVDDKQSAW-UHFFFAOYSA-N
XLogP-1.06
TPSA140.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)sulfonyl)piperidine-4-carboxylate
CID 7253856
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 43172830
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 43172834
6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]hexanoic acid
CID 43351331
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 43351333
5-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 62356963
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042760
1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123851
6-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methylhexanoic acid
CID 64364135
2-[[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 65897631
2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]pyrrolidin-3-yl]acetic acid
CID 65944077
(2S)-1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 66263542

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid (CID 62689915) is 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid?
The InChIKey is AOVIYIVDDKQSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c15-9(16)4-7-2-1-3-14(6-7)21(19,20)8-5-12-11(18)13-10(8)17/h5,7H,1-4,6H2,(H,15,16)(H2,12,13,17,18).
What are the key properties of 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid?
2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid has a molecular weight of 317.32 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).