2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid

C15H17N3O2 — CID 81161057

IUPAC2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNc2cnc3ccccc3n2)CCC1
InChIInChI=1S/C15H17N3O2/c19-14(20)8-15(6-3-7-15)10-17-13-9-16-11-4-1-2-5-12(11)18-13/h1-2,4-5,9H,3,6-8,10H2,(H,17,18)(H,19,20)
InChIKeyRDSOAJWHXWMLJU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.69
Rot. Bonds5

About 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid

2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81161057) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
PubChem CID81161057
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNc2cnc3ccccc3n2)CCC1
InChIInChI=1S/C15H17N3O2/c19-14(20)8-15(6-3-7-15)10-17-13-9-16-11-4-1-2-5-12(11)18-13/h1-2,4-5,9H,3,6-8,10H2,(H,17,18)(H,19,20)
InChIKeyRDSOAJWHXWMLJU-UHFFFAOYSA-N
XLogP2.69
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid (CID 81161057) is 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNc2cnc3ccccc3n2)CCC1.
What is the InChIKey of 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is RDSOAJWHXWMLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14(20)8-15(6-3-7-15)10-17-13-9-16-11-4-1-2-5-12(11)18-13/h1-2,4-5,9H,3,6-8,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(quinoxalin-2-ylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).