2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid

C10H12N2O4 — CID 66290685

IUPAC2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
SMILESCOC(=O)c1cc(N(C)CC(=O)O)ccn1
InChIInChI=1S/C10H12N2O4/c1-12(6-9(13)14)7-3-4-11-8(5-7)10(15)16-2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyIVMCKACYHOQBFC-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.39
Rot. Bonds4

About 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid

2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid (PubChem CID 66290685) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
PubChem CID66290685
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
SMILESCOC(=O)c1cc(N(C)CC(=O)O)ccn1
InChIInChI=1S/C10H12N2O4/c1-12(6-9(13)14)7-3-4-11-8(5-7)10(15)16-2/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyIVMCKACYHOQBFC-UHFFFAOYSA-N
XLogP0.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid (CID 66290685) is 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid is COC(=O)c1cc(N(C)CC(=O)O)ccn1.
What is the InChIKey of 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid?
The InChIKey is IVMCKACYHOQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-12(6-9(13)14)7-3-4-11-8(5-7)10(15)16-2/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid?
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid has a molecular weight of 224.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid is sourced from PubChem (CID 66290685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).