3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid

C16H22N2O4 — CID 120516671

IUPAC3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C16H22N2O4/c1-2-18(10-9-15(19)20)16(21)12-7-8-14(17-11-12)22-13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyGGGFSGAZJNJSLH-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.34
Rot. Bonds7

About 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid

3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid (PubChem CID 120516671) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
PubChem CID120516671
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)nc1
InChIInChI=1S/C16H22N2O4/c1-2-18(10-9-15(19)20)16(21)12-7-8-14(17-11-12)22-13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyGGGFSGAZJNJSLH-UHFFFAOYSA-N
XLogP2.34
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
CID 119191501
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
6-ethoxy-N-ethyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78887407
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 120516056
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 61006798
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid (CID 120516671) is 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(OC2CCCC2)nc1.
What is the InChIKey of 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid?
The InChIKey is GGGFSGAZJNJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-18(10-9-15(19)20)16(21)12-7-8-14(17-11-12)22-13-5-3-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,20).
What are the key properties of 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid?
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid is sourced from PubChem (CID 120516671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).