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

C14H19N3O4 — CID 43360589

IUPAC4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-10-3-5-14(6-4-10,12(19)20)16-11(18)9-17-8-2-7-15-13(17)21/h2,7-8,10H,3-6,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyFKLOPSBIBKPKHV-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.39
Rot. Bonds4

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

4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43360589) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43360589
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-10-3-5-14(6-4-10,12(19)20)16-11(18)9-17-8-2-7-15-13(17)21/h2,7-8,10H,3-6,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyFKLOPSBIBKPKHV-UHFFFAOYSA-N
XLogP0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43360676
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
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
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 62527171
1-[(4-Ethyl-3-oxopyrazin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 62939437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43360589) is 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)Cn2cccnc2=O)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FKLOPSBIBKPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-3-5-14(6-4-10,12(19)20)16-11(18)9-17-8-2-7-15-13(17)21/h2,7-8,10H,3-6,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43360589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).