2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid

C15H24N4O3 — CID 167802867

IUPAC2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C15H24N4O3/c1-4-18(9-15(21)22)13-6-12(7-13)16-14(20)8-19-11(3)5-10(2)17-19/h5,12-13H,4,6-9H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyZCVRAZAMFDHBJO-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.55
Rot. Bonds7

About 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 167802867) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID167802867
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C15H24N4O3/c1-4-18(9-15(21)22)13-6-12(7-13)16-14(20)8-19-11(3)5-10(2)17-19/h5,12-13H,4,6-9H2,1-3H3,(H,16,20)(H,21,22)
InChIKeyZCVRAZAMFDHBJO-UHFFFAOYSA-N
XLogP0.55
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 167802867) is 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Cn2nc(C)cc2C)C1.
What is the InChIKey of 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is ZCVRAZAMFDHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-18(9-15(21)22)13-6-12(7-13)16-14(20)8-19-11(3)5-10(2)17-19/h5,12-13H,4,6-9H2,1-3H3,(H,16,20)(H,21,22).
What are the key properties of 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 308.38 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 167802867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).