2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid

C11H15N3O2 — CID 126848240

IUPAC2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(CC2CC2)ncn1
InChIInChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRLGYYLDCBMBFA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.95
Rot. Bonds5

About 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid

2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 126848240) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID126848240
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(CC2CC2)ncn1
InChIInChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16)
InChIKeyFRLGYYLDCBMBFA-UHFFFAOYSA-N
XLogP0.95
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid (CID 126848240) is 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cc(CC2CC2)ncn1.
What is the InChIKey of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is FRLGYYLDCBMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14(6-11(15)16)10-5-9(12-7-13-10)4-8-2-3-8/h5,7-8H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 126848240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).