3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid

C15H15N3O3 — CID 167888307

IUPAC3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC1CC(O)(c2ccccc2)C1
InChIInChI=1S/C15H15N3O3/c19-14(20)12-13(17-7-6-16-12)18-11-8-15(21,9-11)10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,17,18)(H,19,20)
InChIKeyHPLJTINKONFSAB-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.64
Rot. Bonds4

About 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid

3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid (PubChem CID 167888307) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
PubChem CID167888307
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC1CC(O)(c2ccccc2)C1
InChIInChI=1S/C15H15N3O3/c19-14(20)12-13(17-7-6-16-12)18-11-8-15(21,9-11)10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,17,18)(H,19,20)
InChIKeyHPLJTINKONFSAB-UHFFFAOYSA-N
XLogP1.64
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-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

Related Compounds

CID 62709587
CID 62709587
CID 62711121
CID 62711121
CID 155256621
CID 155256621
CID 55107507
CID 55107507
CID 55108025
CID 55108025
CID 62709799
CID 62709799
CID 62709932
CID 62709932
CID 62709936
CID 62709936
CID 62710330
CID 62710330
CID 62710514
CID 62710514
CID 62710777
CID 62710777
CID 62711116
CID 62711116

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid (CID 167888307) is 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC1CC(O)(c2ccccc2)C1.
What is the InChIKey of 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is HPLJTINKONFSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(20)12-13(17-7-6-16-12)18-11-8-15(21,9-11)10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid?
3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167888307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).