2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid

C9H13N3O3 — CID 62253678

IUPAC2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid
SMILESCOc1nc(N(C)CC(=O)O)ccc1N
InChIInChI=1S/C9H13N3O3/c1-12(5-8(13)14)7-4-3-6(10)9(11-7)15-2/h3-4H,5,10H2,1-2H3,(H,13,14)
InChIKeyPCTDUBQARHTCCP-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.19
Rot. Bonds4

About 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid

2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid (PubChem CID 62253678) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid
PubChem CID62253678
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid
SMILESCOc1nc(N(C)CC(=O)O)ccc1N
InChIInChI=1S/C9H13N3O3/c1-12(5-8(13)14)7-4-3-6(10)9(11-7)15-2/h3-4H,5,10H2,1-2H3,(H,13,14)
InChIKeyPCTDUBQARHTCCP-UHFFFAOYSA-N
XLogP0.19
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid (CID 62253678) is 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid is COc1nc(N(C)CC(=O)O)ccc1N.
What is the InChIKey of 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid?
The InChIKey is PCTDUBQARHTCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12(5-8(13)14)7-4-3-6(10)9(11-7)15-2/h3-4H,5,10H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid?
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid is sourced from PubChem (CID 62253678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).