tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate

C12H19N3O2 — CID 67463487

IUPACtert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(CN)nc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-9(6-13)15-7-8/h4-5,7,10H,6,13-14H2,1-3H3
InChIKeyVQWJUEOPIBKIML-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.88
Rot. Bonds3

About tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate

tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate (PubChem CID 67463487) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
PubChem CID67463487
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(CN)nc1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-9(6-13)15-7-8/h4-5,7,10H,6,13-14H2,1-3H3
InChIKeyVQWJUEOPIBKIML-UHFFFAOYSA-N
XLogP0.88
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate
CID 174503434
tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
CID 70279325
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
CID 174697637
CID 174697637
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
tert-butyl 6-(aminomethyl)pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 139026838
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
tert-butyl 2-[5-(2-methylpentan-3-yl)-2-pyridinyl]acetate
CID 130224484
tert-butyl 3-(6-amino-3-pyridinyl)butanoate
CID 167726069

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate (CID 67463487) is tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate is CC(C)(C)OC(=O)C(N)c1ccc(CN)nc1.
What is the InChIKey of tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate?
The InChIKey is VQWJUEOPIBKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-9(6-13)15-7-8/h4-5,7,10H,6,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate?
tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate has a molecular weight of 237.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 67463487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).