2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate

C12H18N2O3 — CID 107339957

IUPAC2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate
SMILESCC(C)OCCOC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H18N2O3/c1-9(2)16-5-6-17-12(15)7-11-4-3-10(13)8-14-11/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyVAVWTPALZCHXNC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.17
Rot. Bonds6

About 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate

2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107339957) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate
PubChem CID107339957
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate
SMILESCC(C)OCCOC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C12H18N2O3/c1-9(2)16-5-6-17-12(15)7-11-4-3-10(13)8-14-11/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyVAVWTPALZCHXNC-UHFFFAOYSA-N
XLogP1.17
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
CID 158610916
(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate
CID 107340008
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
6-(3-methylbutyl)pyridin-3-amine
CID 82414791
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 107339726
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
thiophen-2-ylmethyl 2-(5-amino-2-pyridinyl)acetate
CID 107339983
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 107338579

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate (CID 107339957) is 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate is CC(C)OCCOC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is VAVWTPALZCHXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(2)16-5-6-17-12(15)7-11-4-3-10(13)8-14-11/h3-4,8-9H,5-7,13H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate?
2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 238.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).