tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate

C13H25NO3 — CID 103785966

IUPACtert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
SMILESCC(NCCC(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C13H25NO3/c1-10(11-6-8-16-9-11)14-7-5-12(15)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyODPWRJPJTNZQBF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate

tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate (PubChem CID 103785966) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
PubChem CID103785966
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
SMILESCC(NCCC(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C13H25NO3/c1-10(11-6-8-16-9-11)14-7-5-12(15)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3
InChIKeyODPWRJPJTNZQBF-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
tert-butyl 3-methyl-3-[[1-(oxolan-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 104537846
tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
tert-butyl N-[[1-[amino(oxolan-3-yl)methyl]cyclopropyl]methyl]carbamate
CID 115050416
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate?
The IUPAC name of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate (CID 103785966) is tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate?
The canonical SMILES for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate is CC(NCCC(=O)OC(C)(C)C)C1CCOC1.
What is the InChIKey of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate?
The InChIKey is ODPWRJPJTNZQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(11-6-8-16-9-11)14-7-5-12(15)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate?
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate is sourced from PubChem (CID 103785966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).