2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid

C13H20N2O3 — CID 83041938

IUPAC2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1cccnc1OC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-6-11(13(16)17)15-10-7-5-8-14-12(10)18-9(2)3/h5,7-9,11,15H,4,6H2,1-3H3,(H,16,17)
InChIKeyQCALYEYAGLJTIH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.53
Rot. Bonds7

About 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid

2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid (PubChem CID 83041938) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
PubChem CID83041938
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1cccnc1OC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-4-6-11(13(16)17)15-10-7-5-8-14-12(10)18-9(2)3/h5,7-9,11,15H,4,6H2,1-3H3,(H,16,17)
InChIKeyQCALYEYAGLJTIH-UHFFFAOYSA-N
XLogP2.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
CID 66336844
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
2-(2-phenylanilino)pentanoic acid
CID 83037413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid (CID 83041938) is 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid is CCCC(Nc1cccnc1OC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid?
The InChIKey is QCALYEYAGLJTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-6-11(13(16)17)15-10-7-5-8-14-12(10)18-9(2)3/h5,7-9,11,15H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid?
2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 83041938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).