tert-butyl 2-(furan-3-ylmethylamino)propanoate

C12H19NO3 — CID 115626166

IUPACtert-butyl 2-(furan-3-ylmethylamino)propanoate
SMILESCC(NCc1ccoc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-7-10-5-6-15-8-10/h5-6,8-9,13H,7H2,1-4H3
InChIKeyYYEBVSXUAFLQLW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.10
Rot. Bonds4

About tert-butyl 2-(furan-3-ylmethylamino)propanoate

tert-butyl 2-(furan-3-ylmethylamino)propanoate (PubChem CID 115626166) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 2-(furan-3-ylmethylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(furan-3-ylmethylamino)propanoate
PubChem CID115626166
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 2-(furan-3-ylmethylamino)propanoate
SMILESCC(NCc1ccoc1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-7-10-5-6-15-8-10/h5-6,8-9,13H,7H2,1-4H3
InChIKeyYYEBVSXUAFLQLW-UHFFFAOYSA-N
XLogP2.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
CID 71192096
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
tert-butyl (2R)-2-(furan-3-carbonylamino)propanoate
CID 81003529
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
furan-3-ylmethyl N-propan-2-ylcarbamate
CID 58805073
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(furan-3-ylmethylamino)propanoate?
The IUPAC name of tert-butyl 2-(furan-3-ylmethylamino)propanoate (CID 115626166) is tert-butyl 2-(furan-3-ylmethylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(furan-3-ylmethylamino)propanoate?
The canonical SMILES for tert-butyl 2-(furan-3-ylmethylamino)propanoate is CC(NCc1ccoc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(furan-3-ylmethylamino)propanoate?
The InChIKey is YYEBVSXUAFLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-7-10-5-6-15-8-10/h5-6,8-9,13H,7H2,1-4H3.
What are the key properties of tert-butyl 2-(furan-3-ylmethylamino)propanoate?
tert-butyl 2-(furan-3-ylmethylamino)propanoate has a molecular weight of 225.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(furan-3-ylmethylamino)propanoate is sourced from PubChem (CID 115626166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).