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

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Related Compounds

3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
CID 62710998
3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
CID 114541203
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
CID 63261894
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
CID 63261862
3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
3-(2,3-dihydro-1H-inden-2-ylamino)pyridine-2-carboxylic acid
CID 107854716
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 83191694
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673

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).