tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate

C14H23NO3 — CID 103785992

IUPACtert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
SMILESCc1ccc(C(C)NCCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H23NO3/c1-10-6-7-12(17-10)11(2)15-9-8-13(16)18-14(3,4)5/h6-7,11,15H,8-9H2,1-5H3
InChIKeyZYCQYMKGQALCTO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.97
Rot. Bonds5

About tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate

tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate (PubChem CID 103785992) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
PubChem CID103785992
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate
SMILESCc1ccc(C(C)NCCC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H23NO3/c1-10-6-7-12(17-10)11(2)15-9-8-13(16)18-14(3,4)5/h6-7,11,15H,8-9H2,1-5H3
InChIKeyZYCQYMKGQALCTO-UHFFFAOYSA-N
XLogP2.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
tert-butyl N-[3-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]butyl]carbamate
CID 107254271
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 103257452
tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
CID 116861139
tert-butyl 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 104538101
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
tert-butyl 3-(1,3-dihydroxypropan-2-ylamino)propanoate
CID 103237046
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 107240310
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate?
The IUPAC name of tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate (CID 103785992) is tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate?
The canonical SMILES for tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate is Cc1ccc(C(C)NCCC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate?
The InChIKey is ZYCQYMKGQALCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-6-7-12(17-10)11(2)15-9-8-13(16)18-14(3,4)5/h6-7,11,15H,8-9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate?
tert-butyl 3-[1-(5-methylfuran-2-yl)ethylamino]propanoate has a molecular weight of 253.34 g/mol, XLogP of 2.97, 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-(5-methylfuran-2-yl)ethylamino]propanoate is sourced from PubChem (CID 103785992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).