2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H18N2O4 — CID 63072391

IUPAC2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCOc1ncccc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)7-15(8-11(16)17)13(18)10-5-4-6-14-12(10)19-3/h4-6,9H,7-8H2,1-3H3,(H,16,17)
InChIKeyOYSSEJTVAVCOSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.27
Rot. Bonds6

About 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63072391) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63072391
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCOc1ncccc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H18N2O4/c1-9(2)7-15(8-11(16)17)13(18)10-5-4-6-14-12(10)19-3/h4-6,9H,7-8H2,1-3H3,(H,16,17)
InChIKeyOYSSEJTVAVCOSY-UHFFFAOYSA-N
XLogP1.27
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280456
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62874297
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63072391) is 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid is COc1ncccc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is OYSSEJTVAVCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)7-15(8-11(16)17)13(18)10-5-4-6-14-12(10)19-3/h4-6,9H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63072391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).