2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C19H28N2O5 — CID 120533664

IUPAC2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O
InChIInChI=1S/C19H28N2O5/c1-19(2,3)25-11-10-15(18(23)24)21-17(22)13-8-9-16(20-12-13)26-14-6-4-5-7-14/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyBFJVKMNCCJGNGB-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.79
Rot. Bonds8

About 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533664) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533664
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCC(C)(C)OCCC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O
InChIInChI=1S/C19H28N2O5/c1-19(2,3)25-11-10-15(18(23)24)21-17(22)13-8-9-16(20-12-13)26-14-6-4-5-7-14/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyBFJVKMNCCJGNGB-UHFFFAOYSA-N
XLogP2.79
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 120516056
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533619
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906521
(2S)-2-[[6-(3-methylphenoxy)pyridine-3-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 177146949
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533664) is 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is CC(C)(C)OCCC(NC(=O)c1ccc(OC2CCCC2)nc1)C(=O)O.
What is the InChIKey of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is BFJVKMNCCJGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)25-11-10-15(18(23)24)21-17(22)13-8-9-16(20-12-13)26-14-6-4-5-7-14/h8-9,12,14-15H,4-7,10-11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 364.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).