2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid

C11H11N3O4 — CID 114765403

IUPAC2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
SMILESCc1cc(C#N)cc(N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-7-2-8(4-12)3-9(13-7)14(5-10(15)16)6-11(17)18/h2-3H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUKZIXOJMIAQNDP-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.24
Rot. Bonds5

About 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid

2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid (PubChem CID 114765403) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
PubChem CID114765403
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
SMILESCc1cc(C#N)cc(N(CC(=O)O)CC(=O)O)n1
InChIInChI=1S/C11H11N3O4/c1-7-2-8(4-12)3-9(13-7)14(5-10(15)16)6-11(17)18/h2-3H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUKZIXOJMIAQNDP-UHFFFAOYSA-N
XLogP0.24
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 63644575
ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 114766094
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)-prop-2-enylamino]acetic acid
CID 81060333
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
CID 114766295
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-methyl-6-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 114766314
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid (CID 114765403) is 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid is Cc1cc(C#N)cc(N(CC(=O)O)CC(=O)O)n1.
What is the InChIKey of 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid?
The InChIKey is UKZIXOJMIAQNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7-2-8(4-12)3-9(13-7)14(5-10(15)16)6-11(17)18/h2-3H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid?
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 114765403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).