2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid

C15H18N4O3 — CID 167781072

IUPAC2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid
SMILESCC1(C)[C@@H](CC(=O)O)C[C@H]1NC(=O)c1ccnc2ccnn12
InChIInChI=1S/C15H18N4O3/c1-15(2)9(8-13(20)21)7-11(15)18-14(22)10-3-5-16-12-4-6-17-19(10)12/h3-6,9,11H,7-8H2,1-2H3,(H,18,22)(H,20,21)/t9-,11-/m1/s1
InChIKeyCDTGGEWRNKSEKM-MWLCHTKSSA-N
MW302.33 g/mol
LogP1.35
Rot. Bonds4

About 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid

2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid (PubChem CID 167781072) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid
PubChem CID167781072
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid
SMILESCC1(C)[C@@H](CC(=O)O)C[C@H]1NC(=O)c1ccnc2ccnn12
InChIInChI=1S/C15H18N4O3/c1-15(2)9(8-13(20)21)7-11(15)18-14(22)10-3-5-16-12-4-6-17-19(10)12/h3-6,9,11H,7-8H2,1-2H3,(H,18,22)(H,20,21)/t9-,11-/m1/s1
InChIKeyCDTGGEWRNKSEKM-MWLCHTKSSA-N
XLogP1.35
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid (CID 167781072) is 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid is CC1(C)[C@@H](CC(=O)O)C[C@H]1NC(=O)c1ccnc2ccnn12.
What is the InChIKey of 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is CDTGGEWRNKSEKM-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(2)9(8-13(20)21)7-11(15)18-14(22)10-3-5-16-12-4-6-17-19(10)12/h3-6,9,11H,7-8H2,1-2H3,(H,18,22)(H,20,21)/t9-,11-/m1/s1.
What are the key properties of 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid?
2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidine-7-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 167781072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).