tert-butyl 3-(pyridin-2-ylmethoxy)propanoate

C13H19NO3 — CID 14833129

IUPACtert-butyl 3-(pyridin-2-ylmethoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOCc1ccccn1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)7-9-16-10-11-6-4-5-8-14-11/h4-6,8H,7,9-10H2,1-3H3
InChIKeyLRWKEHYMOWSNAL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.33
Rot. Bonds5

About tert-butyl 3-(pyridin-2-ylmethoxy)propanoate

tert-butyl 3-(pyridin-2-ylmethoxy)propanoate (PubChem CID 14833129) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 3-(pyridin-2-ylmethoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(pyridin-2-ylmethoxy)propanoate
PubChem CID14833129
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl 3-(pyridin-2-ylmethoxy)propanoate
SMILESCC(C)(C)OC(=O)CCOCc1ccccn1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(15)7-9-16-10-11-6-4-5-8-14-11/h4-6,8H,7,9-10H2,1-3H3
InChIKeyLRWKEHYMOWSNAL-UHFFFAOYSA-N
XLogP2.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(quinoxalin-5-ylmethoxy)propanoate
CID 166003207
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
CID 70533731
tert-butyl 3-(furan-2-ylmethoxy)propanoate
CID 14833126
tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
tert-butyl 3-(pyrimidin-2-ylamino)propanoate
CID 141113338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pyridin-2-ylmethoxy)propanoate?
The IUPAC name of tert-butyl 3-(pyridin-2-ylmethoxy)propanoate (CID 14833129) is tert-butyl 3-(pyridin-2-ylmethoxy)propanoate.
What is the SMILES notation for tert-butyl 3-(pyridin-2-ylmethoxy)propanoate?
The canonical SMILES for tert-butyl 3-(pyridin-2-ylmethoxy)propanoate is CC(C)(C)OC(=O)CCOCc1ccccn1.
What is the InChIKey of tert-butyl 3-(pyridin-2-ylmethoxy)propanoate?
The InChIKey is LRWKEHYMOWSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(15)7-9-16-10-11-6-4-5-8-14-11/h4-6,8H,7,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(pyridin-2-ylmethoxy)propanoate?
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate has a molecular weight of 237.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pyridin-2-ylmethoxy)propanoate is sourced from PubChem (CID 14833129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).