tert-butyl 2-[1-(furan-2-yl)propylamino]acetate

C13H21NO3 — CID 81463030

IUPACtert-butyl 2-[1-(furan-2-yl)propylamino]acetate
SMILESCCC(NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C13H21NO3/c1-5-10(11-7-6-8-16-11)14-9-12(15)17-13(2,3)4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyDFSUARPLYIJWNS-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl 2-[1-(furan-2-yl)propylamino]acetate

tert-butyl 2-[1-(furan-2-yl)propylamino]acetate (PubChem CID 81463030) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 2-[1-(furan-2-yl)propylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(furan-2-yl)propylamino]acetate
PubChem CID81463030
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 2-[1-(furan-2-yl)propylamino]acetate
SMILESCCC(NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C13H21NO3/c1-5-10(11-7-6-8-16-11)14-9-12(15)17-13(2,3)4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyDFSUARPLYIJWNS-UHFFFAOYSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 69345751
2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate
CID 90122895
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
tert-butyl 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]acetate
CID 81462853
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(furan-2-yl)propylamino]acetate?
The IUPAC name of tert-butyl 2-[1-(furan-2-yl)propylamino]acetate (CID 81463030) is tert-butyl 2-[1-(furan-2-yl)propylamino]acetate.
What is the SMILES notation for tert-butyl 2-[1-(furan-2-yl)propylamino]acetate?
The canonical SMILES for tert-butyl 2-[1-(furan-2-yl)propylamino]acetate is CCC(NCC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl 2-[1-(furan-2-yl)propylamino]acetate?
The InChIKey is DFSUARPLYIJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-10(11-7-6-8-16-11)14-9-12(15)17-13(2,3)4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-[1-(furan-2-yl)propylamino]acetate?
tert-butyl 2-[1-(furan-2-yl)propylamino]acetate has a molecular weight of 239.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(furan-2-yl)propylamino]acetate is sourced from PubChem (CID 81463030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).