2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid

C10H14N2O2 — CID 23396943

IUPAC2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid
SMILESCc1cc(CCNCC(=O)O)ccn1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(3-5-12-8)2-4-11-7-10(13)14/h3,5-6,11H,2,4,7H2,1H3,(H,13,14)
InChIKeySTDLSFTUACTPFF-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.61
Rot. Bonds5

About 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid

2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid (PubChem CID 23396943) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid
PubChem CID23396943
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid
SMILESCc1cc(CCNCC(=O)O)ccn1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(3-5-12-8)2-4-11-7-10(13)14/h3,5-6,11H,2,4,7H2,1H3,(H,13,14)
InChIKeySTDLSFTUACTPFF-UHFFFAOYSA-N
XLogP0.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dimethylphenyl)ethylamino]acetic acid
CID 67679767
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
2-methyl-4-propylpyridine
CID 3358679
3-[2-(carboxymethylamino)ethyl]benzoic acid
CID 177277751
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
2-[methyl-[4-(2-methyl-4-pyridinyl)butanoyl]amino]acetic acid
CID 20689264
ethane;4-ethyl-2-methylpyridine
CID 91358383
2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
CID 175925815
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
CID 122088409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid (CID 23396943) is 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid is Cc1cc(CCNCC(=O)O)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid?
The InChIKey is STDLSFTUACTPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-6-9(3-5-12-8)2-4-11-7-10(13)14/h3,5-6,11H,2,4,7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid?
2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)ethylamino]acetic acid is sourced from PubChem (CID 23396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).