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

C13H17N3O4 — CID 64813112

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c17-11(8-16-7-3-6-14-13(16)20)15-10-5-2-1-4-9(10)12(18)19/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,17)(H,18,19)
InChIKeyDNGQZKZSVUYBQX-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.00
Rot. Bonds4

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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64813112) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64813112
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H17N3O4/c17-11(8-16-7-3-6-14-13(16)20)15-10-5-2-1-4-9(10)12(18)19/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,17)(H,18,19)
InChIKeyDNGQZKZSVUYBQX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64813112) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cccnc1=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DNGQZKZSVUYBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11(8-16-7-3-6-14-13(16)20)15-10-5-2-1-4-9(10)12(18)19/h3,6-7,9-10H,1-2,4-5,8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[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 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).