tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate

C14H22N2O3 — CID 22178631

IUPACtert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC(C)c1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)11-7-6-10(15)13(18)16(11)8-12(17)19-14(3,4)5/h6-7,9H,8,15H2,1-5H3
InChIKeyFPASJNTZTZPGFO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate

tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate (PubChem CID 22178631) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
PubChem CID22178631
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
SMILESCC(C)c1ccc(N)c(=O)n1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-9(2)11-7-6-10(15)13(18)16(11)8-12(17)19-14(3,4)5/h6-7,9H,8,15H2,1-5H3
InChIKeyFPASJNTZTZPGFO-UHFFFAOYSA-N
XLogP1.90
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 2-(3-cyano-2-oxo-6-propan-2-yl-1-pyridinyl)acetate
CID 82099566
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 6-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 22943468
tert-butyl 2-(2-benzoyl-5-phenylpyrrol-1-yl)acetate
CID 57423706
tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate
CID 86628420
tert-butyl 2-(5-chloro-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
CID 86641480
tert-butyl 2-[2,3,4-trimethyl-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 54490803
tert-butyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-3-phenylpropanoate
CID 58674957
tert-butyl 2-(5-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)acetate
CID 140526433
tert-butyl 2-(5-amino-2-benzylbenzimidazol-1-yl)acetate
CID 139827245
tert-butyl (4S)-6-(2-amino-5-nitrophenyl)-4-methyl-5-sulfanylidenehexanoate
CID 146799252
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
tert-butyl 2-(2,3-diamino-6-methylphenyl)acetate
CID 174820981

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The IUPAC name of tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate (CID 22178631) is tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate.
What is the SMILES notation for tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The canonical SMILES for tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate is CC(C)c1ccc(N)c(=O)n1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
The InChIKey is FPASJNTZTZPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)11-7-6-10(15)13(18)16(11)8-12(17)19-14(3,4)5/h6-7,9H,8,15H2,1-5H3.
What are the key properties of tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate?
tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate has a molecular weight of 266.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-2-oxo-6-propan-2-yl-1-pyridinyl)acetate is sourced from PubChem (CID 22178631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).