2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

C13H18N2O3 — CID 113380308

IUPAC2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2CC(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-7(2)11-3-8(13(17)18)4-12(15-11)14-9-5-10(16)6-9/h3-4,7,9-10,16H,5-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyRRQSGLMSHXPUNQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.84
Rot. Bonds4

About 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid

2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (PubChem CID 113380308) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
PubChem CID113380308
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc(NC2CC(O)C2)n1
InChIInChI=1S/C13H18N2O3/c1-7(2)11-3-8(13(17)18)4-12(15-11)14-9-5-10(16)6-9/h3-4,7,9-10,16H,5-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyRRQSGLMSHXPUNQ-UHFFFAOYSA-N
XLogP1.84
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114504534
2-(3-methylbutan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380101
2-(1,3-dihydroxypropan-2-ylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380303
2-[(1-methylcyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113485557
2-[2-(dimethylamino)propylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380228
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
2-(2-methylsulfinylethylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 113480059
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
2-[(3-methyl-4-pyridinyl)methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 114700707
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122061797

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid (CID 113380308) is 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)cc(NC2CC(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
The InChIKey is RRQSGLMSHXPUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-7(2)11-3-8(13(17)18)4-12(15-11)14-9-5-10(16)6-9/h3-4,7,9-10,16H,5-6H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid?
2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclobutyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).