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

C9H11N3O5 — CID 71376700

IUPAC2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
SMILESCc1cc(OCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C9H11N3O5/c1-5-2-6(17-4-8(15)16)12-9(11-5)10-3-7(13)14/h2H,3-4H2,1H3,(H,13,14)(H,15,16)(H,10,11,12)
InChIKeyLCHPERWENPVMDR-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.26
Rot. Bonds6

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

2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid (PubChem CID 71376700) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
PubChem CID71376700
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
SMILESCc1cc(OCC(=O)O)nc(NCC(=O)O)n1
InChIInChI=1S/C9H11N3O5/c1-5-2-6(17-4-8(15)16)12-9(11-5)10-3-7(13)14/h2H,3-4H2,1H3,(H,13,14)(H,15,16)(H,10,11,12)
InChIKeyLCHPERWENPVMDR-UHFFFAOYSA-N
XLogP-0.26
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid (CID 71376700) is 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid is Cc1cc(OCC(=O)O)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The InChIKey is LCHPERWENPVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-5-2-6(17-4-8(15)16)12-9(11-5)10-3-7(13)14/h2H,3-4H2,1H3,(H,13,14)(H,15,16)(H,10,11,12).
What are the key properties of 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid has a molecular weight of 241.20 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 71376700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).