4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C13H17N3O5 — CID 60808869

IUPAC4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17N3O5/c17-10(5-9-6-11(18)16-13(21)15-9)14-8-3-1-7(2-4-8)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyOTNPKOHOVJUBID-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.63
Rot. Bonds4

About 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808869) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808869
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17N3O5/c17-10(5-9-6-11(18)16-13(21)15-9)14-8-3-1-7(2-4-8)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyOTNPKOHOVJUBID-UHFFFAOYSA-N
XLogP-0.63
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023799
7-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]heptanoic acid
CID 43359030
4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808060
4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809197
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809516
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63042557
6-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylhexanoic acid
CID 64364329
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813123
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 65898561
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 65998065
3-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-3-yl]propanoic acid
CID 81721319
5-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 82683563

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60808869) is 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OTNPKOHOVJUBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10(5-9-6-11(18)16-13(21)15-9)14-8-3-1-7(2-4-8)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21).
What are the key properties of 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).