1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid

C14H23N3O2 — CID 125451372

IUPAC1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)Cn1nccc1[C@@H](CN)C1(C(=O)O)CCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)9-17-12(4-7-16-17)11(8-15)14(13(18)19)5-3-6-14/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyBJXXLXMHOLHJBF-LLVKDONJSA-N
MW265.36 g/mol
LogP1.84
Rot. Bonds6

About 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid

1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125451372) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid
PubChem CID125451372
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid
SMILESCC(C)Cn1nccc1[C@@H](CN)C1(C(=O)O)CCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)9-17-12(4-7-16-17)11(8-15)14(13(18)19)5-3-6-14/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyBJXXLXMHOLHJBF-LLVKDONJSA-N
XLogP1.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic 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 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid (CID 125451372) is 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid is CC(C)Cn1nccc1[C@@H](CN)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is BJXXLXMHOLHJBF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)9-17-12(4-7-16-17)11(8-15)14(13(18)19)5-3-6-14/h4,7,10-11H,3,5-6,8-9,15H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid?
1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-amino-1-[2-(2-methylpropyl)pyrazol-3-yl]ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).