2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid

C13H20N2O3 — CID 79268653

IUPAC2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15(9-12(16)17)8-10-6-5-7-11(14-10)18-4/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyIVTQCZQHKQCRPO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.78
Rot. Bonds5

About 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid

2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid (PubChem CID 79268653) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
PubChem CID79268653
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15(9-12(16)17)8-10-6-5-7-11(14-10)18-4/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyIVTQCZQHKQCRPO-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
CID 63984337
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
2-[tert-butyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 79268853
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
CID 79269645
2-[tert-butyl-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 79269294
N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
CID 99827590

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid (CID 79268653) is 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid is COc1cccc(CN(CC(=O)O)C(C)(C)C)n1.
What is the InChIKey of 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid?
The InChIKey is IVTQCZQHKQCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)15(9-12(16)17)8-10-6-5-7-11(14-10)18-4/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid?
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid is sourced from PubChem (CID 79268653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).