tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate

C15H24N2O3 — CID 66336844

IUPACtert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
SMILESCC(C)Oc1ncccc1NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)19-13-12(8-7-9-16-13)17-11(3)14(18)20-15(4,5)6/h7-11,17H,1-6H3
InChIKeyLYYWQTUWYWAXRQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.01
Rot. Bonds5

About tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate

tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate (PubChem CID 66336844) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
PubChem CID66336844
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate
SMILESCC(C)Oc1ncccc1NC(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)19-13-12(8-7-9-16-13)17-11(3)14(18)20-15(4,5)6/h7-11,17H,1-6H3
InChIKeyLYYWQTUWYWAXRQ-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
CID 83041938
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 79479427
tert-butyl N-[2-[(2-methoxy-3-pyridinyl)amino]propyl]carbamate
CID 103388538
N-(2-propan-2-yloxy-3-pyridinyl)formamide
CID 64991997
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate (CID 66336844) is tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate is CC(C)Oc1ncccc1NC(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate?
The InChIKey is LYYWQTUWYWAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)19-13-12(8-7-9-16-13)17-11(3)14(18)20-15(4,5)6/h7-11,17H,1-6H3.
What are the key properties of tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate?
tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-propan-2-yloxy-3-pyridinyl)amino]propanoate is sourced from PubChem (CID 66336844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).