2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid

C14H22N2O3 — CID 82892804

IUPAC2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cc(C)nc(CN(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10-6-12(19-5)7-11(15-10)8-16(9-13(17)18)14(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18)
InChIKeyDJRMLTLRNYTHKS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds5

About 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid

2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid (PubChem CID 82892804) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
PubChem CID82892804
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
SMILESCOc1cc(C)nc(CN(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10-6-12(19-5)7-11(15-10)8-16(9-13(17)18)14(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18)
InChIKeyDJRMLTLRNYTHKS-UHFFFAOYSA-N
XLogP2.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
2-[2-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 82892448

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid (CID 82892804) is 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid is COc1cc(C)nc(CN(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid?
The InChIKey is DJRMLTLRNYTHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-6-12(19-5)7-11(15-10)8-16(9-13(17)18)14(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid?
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid is sourced from PubChem (CID 82892804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).