2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid

C17H25N3O3 — CID 136556226

IUPAC2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccnn1CC1CCC1)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c21-16(22)12-19(14-7-2-1-3-8-14)17(23)15-9-10-18-20(15)11-13-5-4-6-13/h9-10,13-14H,1-8,11-12H2,(H,21,22)
InChIKeyVUPDCBVGRKPDGY-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.54
Rot. Bonds6

About 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid

2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid (PubChem CID 136556226) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid
PubChem CID136556226
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccnn1CC1CCC1)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c21-16(22)12-19(14-7-2-1-3-8-14)17(23)15-9-10-18-20(15)11-13-5-4-6-13/h9-10,13-14H,1-8,11-12H2,(H,21,22)
InChIKeyVUPDCBVGRKPDGY-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid (CID 136556226) is 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid is O=C(O)CN(C(=O)c1ccnn1CC1CCC1)C1CCCCC1.
What is the InChIKey of 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid?
The InChIKey is VUPDCBVGRKPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(22)12-19(14-7-2-1-3-8-14)17(23)15-9-10-18-20(15)11-13-5-4-6-13/h9-10,13-14H,1-8,11-12H2,(H,21,22).
What are the key properties of 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid?
2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid is sourced from PubChem (CID 136556226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).