4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid

C18H26N2O6 — CID 120533755

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O
InChIInChI=1S/C18H26N2O6/c1-18(2,3)25-9-6-14(17(22)23)20-16(21)12-4-7-19-15(10-12)26-13-5-8-24-11-13/h4,7,10,13-14H,5-6,8-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWBSLMNXBEOCUKD-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.64
Rot. Bonds8

About 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid

4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid (PubChem CID 120533755) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
PubChem CID120533755
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O
InChIInChI=1S/C18H26N2O6/c1-18(2,3)25-9-6-14(17(22)23)20-16(21)12-4-7-19-15(10-12)26-13-5-8-24-11-13/h4,7,10,13-14H,5-6,8-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWBSLMNXBEOCUKD-UHFFFAOYSA-N
XLogP1.64
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533664
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126784792
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126802462

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid (CID 120533755) is 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid is CC(C)(C)OCCC(NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid?
The InChIKey is WBSLMNXBEOCUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-18(2,3)25-9-6-14(17(22)23)20-16(21)12-4-7-19-15(10-12)26-13-5-8-24-11-13/h4,7,10,13-14H,5-6,8-9,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid?
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid has a molecular weight of 366.41 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120533755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).