2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid

C10H13N3O2 — CID 126848131

IUPAC2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(C2CCC2)ncn1
InChIInChI=1S/C10H13N3O2/c14-10(15)5-11-9-4-8(12-6-13-9)7-2-1-3-7/h4,6-7H,1-3,5H2,(H,14,15)(H,11,12,13)
InChIKeyKTBYPQQUMZAZIT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.24
Rot. Bonds4

About 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid

2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid (PubChem CID 126848131) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
PubChem CID126848131
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(C2CCC2)ncn1
InChIInChI=1S/C10H13N3O2/c14-10(15)5-11-9-4-8(12-6-13-9)7-2-1-3-7/h4,6-7H,1-3,5H2,(H,14,15)(H,11,12,13)
InChIKeyKTBYPQQUMZAZIT-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid (CID 126848131) is 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1cc(C2CCC2)ncn1.
What is the InChIKey of 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is KTBYPQQUMZAZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)5-11-9-4-8(12-6-13-9)7-2-1-3-7/h4,6-7H,1-3,5H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid?
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 126848131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).