2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid

C11H13N3O5 — CID 113451591

IUPAC2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c1-6-2-3-7(11(19)14-6)10(18)13-4-8(15)12-5-9(16)17/h2-3H,4-5H2,1H3,(H,12,15)(H,13,18)(H,14,19)(H,16,17)
InChIKeyJMNQCCBFJJNGAL-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.39
Rot. Bonds5

About 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 113451591) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID113451591
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c1-6-2-3-7(11(19)14-6)10(18)13-4-8(15)12-5-9(16)17/h2-3H,4-5H2,1H3,(H,12,15)(H,13,18)(H,14,19)(H,16,17)
InChIKeyJMNQCCBFJJNGAL-UHFFFAOYSA-N
XLogP-1.39
TPSA128.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
ethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115589394
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
CID 43465546
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778
2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104772745
2-[[6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 125473172
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247079

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid (CID 113451591) is 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)NCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is JMNQCCBFJJNGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6-2-3-7(11(19)14-6)10(18)13-4-8(15)12-5-9(16)17/h2-3H,4-5H2,1H3,(H,12,15)(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 113451591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).