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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Related Compounds

2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 14975255
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
CID 54257408
6-[[[6-[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[[6-(1-hydroxyethenyl)-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164992352
6-[[2-[[2-[[2-[2-[bis[(6-carboxy-2-pyridinyl)methyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]acetyl]amino]ethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122233055
trisodium;6-[[bis[(6-carboxylato-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
CID 102087870
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[[carboxymethyl-[2-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 156847201
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
6-[[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid;methyl 6-[[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-2-carboxylate
CID 159404364

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).