2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid

C14H15N3O2 — CID 114788622

IUPAC2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2ncc3ccccc3n2)CCC1
InChIInChI=1S/C14H15N3O2/c18-12(19)8-14(6-3-7-14)17-13-15-9-10-4-1-2-5-11(10)16-13/h1-2,4-5,9H,3,6-8H2,(H,18,19)(H,15,16,17)
InChIKeyHBKARRIHQAUZAC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.44
Rot. Bonds4

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

2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid (PubChem CID 114788622) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid
PubChem CID114788622
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2ncc3ccccc3n2)CCC1
InChIInChI=1S/C14H15N3O2/c18-12(19)8-14(6-3-7-14)17-13-15-9-10-4-1-2-5-11(10)16-13/h1-2,4-5,9H,3,6-8H2,(H,18,19)(H,15,16,17)
InChIKeyHBKARRIHQAUZAC-UHFFFAOYSA-N
XLogP2.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid (CID 114788622) is 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid is O=C(O)CC1(Nc2ncc3ccccc3n2)CCC1.
What is the InChIKey of 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid?
The InChIKey is HBKARRIHQAUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-12(19)8-14(6-3-7-14)17-13-15-9-10-4-1-2-5-11(10)16-13/h1-2,4-5,9H,3,6-8H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid?
2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(quinazolin-2-ylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 114788622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).