2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid

C11H17N3O2 — CID 58333103

IUPAC2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-12-10(13-6-8)14(4)7-9(15)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyDGSOKDCPRCMJTN-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.29
Rot. Bonds3

About 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid

2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid (PubChem CID 58333103) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid
PubChem CID58333103
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-12-10(13-6-8)14(4)7-9(15)16/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyDGSOKDCPRCMJTN-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid (CID 58333103) is 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid is CN(CC(=O)O)c1ncc(C(C)(C)C)cn1.
What is the InChIKey of 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid?
The InChIKey is DGSOKDCPRCMJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-5-12-10(13-6-8)14(4)7-9(15)16/h5-6H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid?
2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 58333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).