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

C13H17N3O4 — CID 60809999

IUPAC4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17N3O4/c17-11(8-16-7-1-6-14-13(16)20)15-10-4-2-9(3-5-10)12(18)19/h1,6-7,9-10H,2-5,8H2,(H,15,17)(H,18,19)
InChIKeyUTWZANKBJMKSPR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.00
Rot. Bonds4

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

4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809999) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809999
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H17N3O4/c17-11(8-16-7-1-6-14-13(16)20)15-10-4-2-9(3-5-10)12(18)19/h1,6-7,9-10H,2-5,8H2,(H,15,17)(H,18,19)
InChIKeyUTWZANKBJMKSPR-UHFFFAOYSA-N
XLogP0.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810355
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
3-[1-[2-(2-Oxopyrimidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 61706893
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63044010
4-Ethyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 64350215
4-Methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]hexanoic acid
CID 64363918
2-[1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64670572
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813112
2-Methyl-6-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]heptanoic acid
CID 65285975

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60809999) is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cccnc1=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is UTWZANKBJMKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11(8-16-7-1-6-14-13(16)20)15-10-4-2-9(3-5-10)12(18)19/h1,6-7,9-10H,2-5,8H2,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.00, 4 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).