tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate

C12H19N3O2 — CID 70279325

IUPACtert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccnc(CN)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-15-9(6-8)7-13/h4-6,10H,7,13-14H2,1-3H3
InChIKeyHSICLTRFYIJPFC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.88
Rot. Bonds3

About tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate

tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate (PubChem CID 70279325) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
PubChem CID70279325
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccnc(CN)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-15-9(6-8)7-13/h4-6,10H,7,13-14H2,1-3H3
InChIKeyHSICLTRFYIJPFC-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-(aminomethyl)-3-pyridinyl]acetate
CID 67463487
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
tert-butyl N-[4-(aminomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171568778
2-amino-5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 68729485
CID 174697637
CID 174697637
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate
CID 174503434
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate (CID 70279325) is tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate is CC(C)(C)OC(=O)C(N)c1ccnc(CN)c1.
What is the InChIKey of tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate?
The InChIKey is HSICLTRFYIJPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)10(14)8-4-5-15-9(6-8)7-13/h4-6,10H,7,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate?
tert-butyl 2-amino-2-[2-(aminomethyl)-4-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-[2-(aminomethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 70279325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).