methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate

C13H18N2O3 — CID 54890054

IUPACmethyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NCC1CCCO1)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)12(10-4-2-6-14-8-10)15-9-11-5-3-7-18-11/h2,4,6,8,11-12,15H,3,5,7,9H2,1H3
InChIKeyZOEKKGIGHRYCBK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.06
Rot. Bonds5

About methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate

methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate (PubChem CID 54890054) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
PubChem CID54890054
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
SMILESCOC(=O)C(NCC1CCCO1)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)12(10-4-2-6-14-8-10)15-9-11-5-3-7-18-11/h2,4,6,8,11-12,15H,3,5,7,9H2,1H3
InChIKeyZOEKKGIGHRYCBK-UHFFFAOYSA-N
XLogP1.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate?
The IUPAC name of methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate (CID 54890054) is methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate?
The canonical SMILES for methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate is COC(=O)C(NCC1CCCO1)c1cccnc1.
What is the InChIKey of methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate?
The InChIKey is ZOEKKGIGHRYCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-13(16)12(10-4-2-6-14-8-10)15-9-11-5-3-7-18-11/h2,4,6,8,11-12,15H,3,5,7,9H2,1H3.
What are the key properties of methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate?
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate has a molecular weight of 250.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate is sourced from PubChem (CID 54890054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).