2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid

C13H20N2O2 — CID 114990173

IUPAC2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
SMILESCCC(C)(C)NC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-5-12(2,3)15-13(4,11(16)17)10-7-6-8-14-9-10/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyQYHDDLWAQMLUQV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid

2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid (PubChem CID 114990173) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
PubChem CID114990173
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
SMILESCCC(C)(C)NC(C)(C(=O)O)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-5-12(2,3)15-13(4,11(16)17)10-7-6-8-14-9-10/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyQYHDDLWAQMLUQV-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
3-hydroxy-3-methyl-2-phenyl-2-pyridin-3-ylpentanoic acid
CID 68961783
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2-propylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114987629
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid (CID 114990173) is 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid is CCC(C)(C)NC(C)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is QYHDDLWAQMLUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-12(2,3)15-13(4,11(16)17)10-7-6-8-14-9-10/h6-9,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid?
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 114990173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).