2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid

C11H12N2O6 — CID 63651571

IUPAC2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC(=O)O)cc1=O
InChIInChI=1S/C11H12N2O6/c1-12-3-2-7(4-8(12)14)11(19)13(5-9(15)16)6-10(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOXSJVEUOPMSGTJ-UHFFFAOYSA-N
MW268.22 g/mol
LogP-1.00
Rot. Bonds5

About 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid

2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid (PubChem CID 63651571) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
PubChem CID63651571
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid
SMILESCn1ccc(C(=O)N(CC(=O)O)CC(=O)O)cc1=O
InChIInChI=1S/C11H12N2O6/c1-12-3-2-7(4-8(12)14)11(19)13(5-9(15)16)6-10(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOXSJVEUOPMSGTJ-UHFFFAOYSA-N
XLogP-1.00
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1-trimethyl-2-oxopyridine-4-carboxamide
CID 60735672
N-ethyl-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612566
3-[ethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoic acid
CID 55123665
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291
N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103612417
methyl 2-[(1-methyl-2-oxopyridine-4-carbonyl)-propan-2-ylamino]acetate
CID 54941998
N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039702
N-(cyanomethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 103758621
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
N-[2-(dimethylcarbamoylamino)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103895646
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid (CID 63651571) is 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid is Cn1ccc(C(=O)N(CC(=O)O)CC(=O)O)cc1=O.
What is the InChIKey of 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
The InChIKey is OXSJVEUOPMSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c1-12-3-2-7(4-8(12)14)11(19)13(5-9(15)16)6-10(17)18/h2-4H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid?
2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid has a molecular weight of 268.22 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(1-methyl-2-oxopyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 63651571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).