5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid

C11H16N4O4 — CID 114250948

IUPAC5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCCn1ccc(NC(=O)NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-2-15-7-6-8(14-15)12-11(19)13-9(16)4-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyOGDWRYHRJUZFFE-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.81
Rot. Bonds6

About 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid

5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 114250948) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID114250948
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCCn1ccc(NC(=O)NC(=O)CCCC(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-2-15-7-6-8(14-15)12-11(19)13-9(16)4-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19)
InChIKeyOGDWRYHRJUZFFE-UHFFFAOYSA-N
XLogP0.81
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid (CID 114250948) is 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid is CCn1ccc(NC(=O)NC(=O)CCCC(=O)O)n1.
What is the InChIKey of 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is OGDWRYHRJUZFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-15-7-6-8(14-15)12-11(19)13-9(16)4-3-5-10(17)18/h6-7H,2-5H2,1H3,(H,17,18)(H2,12,13,14,16,19).
What are the key properties of 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-3-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 114250948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).