5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid

C13H18N2O4 — CID 55256600

IUPAC5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCC(C)C(C)NC(=O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)9(3)15-12(16)7-19-11-4-10(13(17)18)5-14-6-11/h4-6,8-9H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBRHKJWLTCHSICW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds6

About 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid

5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid (PubChem CID 55256600) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
PubChem CID55256600
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCC(C)C(C)NC(=O)COc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)9(3)15-12(16)7-19-11-4-10(13(17)18)5-14-6-11/h4-6,8-9H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBRHKJWLTCHSICW-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63850009
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55258894
5-butoxypyridine-3-carboxylic acid
CID 63851154
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
4-amino-3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61489341
N-[(2R)-3-methylbutan-2-yl]-2-[4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
CID 40785701
5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851160
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
5-(5-hydroxypentoxy)pyridine-3-carboxylic acid
CID 63851859
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid (CID 55256600) is 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid is CC(C)C(C)NC(=O)COc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The InChIKey is BRHKJWLTCHSICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)9(3)15-12(16)7-19-11-4-10(13(17)18)5-14-6-11/h4-6,8-9H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid?
5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 55256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).