2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid

C9H10N2O3 — CID 63688516

IUPAC2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
SMILESCN(C=O)C(C(=O)O)c1cccnc1
InChIInChI=1S/C9H10N2O3/c1-11(6-12)8(9(13)14)7-3-2-4-10-5-7/h2-6,8H,1H3,(H,13,14)
InChIKeyCDLKDSNQIWMSKK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.30
Rot. Bonds4

About 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid

2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid (PubChem CID 63688516) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
PubChem CID63688516
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid
SMILESCN(C=O)C(C(=O)O)c1cccnc1
InChIInChI=1S/C9H10N2O3/c1-11(6-12)8(9(13)14)7-3-2-4-10-5-7/h2-6,8H,1H3,(H,13,14)
InChIKeyCDLKDSNQIWMSKK-UHFFFAOYSA-N
XLogP0.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 72877931
(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
CID 97285509
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 97284989

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid (CID 63688516) is 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid is CN(C=O)C(C(=O)O)c1cccnc1.
What is the InChIKey of 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid?
The InChIKey is CDLKDSNQIWMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11(6-12)8(9(13)14)7-3-2-4-10-5-7/h2-6,8H,1H3,(H,13,14).
What are the key properties of 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid?
2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 63688516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).