2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid

C11H13N3O5 — CID 102443187

IUPAC2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1cccc(CN(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C11H13N3O5/c12-11(19)8-3-1-2-7(13-8)4-14(5-9(15)16)6-10(17)18/h1-3H,4-6H2,(H2,12,19)(H,15,16)(H,17,18)
InChIKeyPXJHQZFKUPDKBA-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.85
Rot. Bonds7

About 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid

2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid (PubChem CID 102443187) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
PubChem CID102443187
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
SMILESNC(=O)c1cccc(CN(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C11H13N3O5/c12-11(19)8-3-1-2-7(13-8)4-14(5-9(15)16)6-10(17)18/h1-3H,4-6H2,(H2,12,19)(H,15,16)(H,17,18)
InChIKeyPXJHQZFKUPDKBA-UHFFFAOYSA-N
XLogP-0.85
TPSA133.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid (CID 102443187) is 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid is NC(=O)c1cccc(CN(CC(=O)O)CC(=O)O)n1.
What is the InChIKey of 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid?
The InChIKey is PXJHQZFKUPDKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-11(19)8-3-1-2-7(13-8)4-14(5-9(15)16)6-10(17)18/h1-3H,4-6H2,(H2,12,19)(H,15,16)(H,17,18).
What are the key properties of 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid?
2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 102443187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).