2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid

C9H10N2O4 — CID 83834716

IUPAC2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1ccnc(NCC(=O)O)c1
InChIInChI=1S/C9H10N2O4/c1-15-9(14)6-2-3-10-7(4-6)11-5-8(12)13/h2-4H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyGYKBLQQWTDGETE-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.36
Rot. Bonds4

About 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid

2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid (PubChem CID 83834716) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
PubChem CID83834716
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
SMILESCOC(=O)c1ccnc(NCC(=O)O)c1
InChIInChI=1S/C9H10N2O4/c1-15-9(14)6-2-3-10-7(4-6)11-5-8(12)13/h2-4H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyGYKBLQQWTDGETE-UHFFFAOYSA-N
XLogP0.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106105292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid (CID 83834716) is 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid is COC(=O)c1ccnc(NCC(=O)O)c1.
What is the InChIKey of 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
The InChIKey is GYKBLQQWTDGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-9(14)6-2-3-10-7(4-6)11-5-8(12)13/h2-4H,5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid?
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 83834716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).