2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid

C13H18N2O4 — CID 105063247

IUPAC2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
SMILESCOc1cnccc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)12(18)9-5-6-14-7-10(9)19-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyUDMOZXPWSDRDEX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds4

About 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid

2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid (PubChem CID 105063247) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
PubChem CID105063247
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
SMILESCOc1cnccc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)12(18)9-5-6-14-7-10(9)19-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyUDMOZXPWSDRDEX-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 105063162
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
CID 105063090
2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 79266093
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
CID 105063443
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid (CID 105063247) is 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid is COc1cnccc1C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid?
The InChIKey is UDMOZXPWSDRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)15(8-11(16)17)12(18)9-5-6-14-7-10(9)19-4/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid?
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 105063247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).