methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate

C12H14N4O2 — CID 114718970

IUPACmethyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H14N4O2/c1-8(12(17)18-2)16-7-14-6-10(16)9-4-3-5-15-11(9)13/h3-8H,1-2H3,(H2,13,15)
InChIKeyLACZGXBZFSSYNW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate

methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate (PubChem CID 114718970) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
PubChem CID114718970
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
SMILESCOC(=O)C(C)n1cncc1-c1cccnc1N
InChIInChI=1S/C12H14N4O2/c1-8(12(17)18-2)16-7-14-6-10(16)9-4-3-5-15-11(9)13/h3-8H,1-2H3,(H2,13,15)
InChIKeyLACZGXBZFSSYNW-UHFFFAOYSA-N
XLogP1.26
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721812
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
methyl 2-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]propanoate
CID 114718971
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
3-(3-pent-4-yn-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722187
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
CID 114719339
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719040
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate?
The IUPAC name of methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate (CID 114718970) is methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate.
What is the SMILES notation for methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate?
The canonical SMILES for methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate is COC(=O)C(C)n1cncc1-c1cccnc1N.
What is the InChIKey of methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate?
The InChIKey is LACZGXBZFSSYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(12(17)18-2)16-7-14-6-10(16)9-4-3-5-15-11(9)13/h3-8H,1-2H3,(H2,13,15).
What are the key properties of methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate?
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate has a molecular weight of 246.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 114718970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).