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

C13H18N2O4 — CID 54925733

IUPAC2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccnc1OC
InChIInChI=1S/C13H18N2O4/c1-4-9(2)15(8-11(16)17)13(18)10-6-5-7-14-12(10)19-3/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyDNBONMYGBPLANG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds6

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

2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid (PubChem CID 54925733) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
PubChem CID54925733
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cccnc1OC
InChIInChI=1S/C13H18N2O4/c1-4-9(2)15(8-11(16)17)13(18)10-6-5-7-14-12(10)19-3/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyDNBONMYGBPLANG-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
N-butan-2-yl-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 46995416
2-[(2-methoxypyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280456
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62874297
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
CID 60827561
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid (CID 54925733) is 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cccnc1OC.
What is the InChIKey of 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid?
The InChIKey is DNBONMYGBPLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-9(2)15(8-11(16)17)13(18)10-6-5-7-14-12(10)19-3/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54925733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).