2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

C16H22N2O4 — CID 120518735

IUPAC2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1ccc(OC2CCCC2)nc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-16(2,15(20)21)18(3)14(19)11-8-9-13(17-10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,20,21)
InChIKeyRJFSNUWBGKVBCB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.34
Rot. Bonds5

About 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 120518735) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID120518735
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1ccc(OC2CCCC2)nc1)C(C)(C)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-16(2,15(20)21)18(3)14(19)11-8-9-13(17-10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,20,21)
InChIKeyRJFSNUWBGKVBCB-UHFFFAOYSA-N
XLogP2.34
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]propanoic acid
CID 119200444
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
6-cyclopentyloxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 128982031
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533664
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
CID 114341231
6-[1-(2-cyclobutylideneacetyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 126830936
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 120518735) is 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)c1ccc(OC2CCCC2)nc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is RJFSNUWBGKVBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,15(20)21)18(3)14(19)11-8-9-13(17-10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120518735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).