4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C14H19N3O4 — CID 79526506

IUPAC4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c18-12(9-17-7-1-6-15-14(17)21)16-8-10-2-4-11(5-3-10)13(19)20/h1,6-7,10-11H,2-5,8-9H2,(H,16,18)(H,19,20)
InChIKeyDQKKLUVEOOMMEW-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.25
Rot. Bonds5

About 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526506) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526506
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c18-12(9-17-7-1-6-15-14(17)21)16-8-10-2-4-11(5-3-10)13(19)20/h1,6-7,10-11H,2-5,8-9H2,(H,16,18)(H,19,20)
InChIKeyDQKKLUVEOOMMEW-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

6-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 43170021
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
7-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 43358962
4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43360676
Methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate
CID 51090988
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809999
2-Cyclohexyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 61015146
3-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 61291089
2-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 61295235
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 61706893
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-4-yl]propanoic acid
CID 62218176

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79526506) is 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(Cn1cccnc1=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DQKKLUVEOOMMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12(9-17-7-1-6-15-14(17)21)16-8-10-2-4-11(5-3-10)13(19)20/h1,6-7,10-11H,2-5,8-9H2,(H,16,18)(H,19,20).
What are the key properties of 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).