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

C12H19NO3 — CID 103773961

IUPACtert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
SMILESC[C@@H](NCc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-8-10-6-5-7-15-10/h5-7,9,13H,8H2,1-4H3/t9-/m1/s1
InChIKeyVHDIJBNURYHTNR-SECBINFHSA-N
MW225.29 g/mol
LogP2.10
Rot. Bonds4

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

tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate (PubChem CID 103773961) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
PubChem CID103773961
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
SMILESC[C@@H](NCc1ccco1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-8-10-6-5-7-15-10/h5-7,9,13H,8H2,1-4H3/t9-/m1/s1
InChIKeyVHDIJBNURYHTNR-SECBINFHSA-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

(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245973
tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
CID 71192096
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate
CID 103386932
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate (CID 103773961) is tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate is C[C@@H](NCc1ccco1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate?
The InChIKey is VHDIJBNURYHTNR-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(11(14)16-12(2,3)4)13-8-10-6-5-7-15-10/h5-7,9,13H,8H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate?
tert-butyl (2R)-2-(furan-2-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 (2R)-2-(furan-2-ylmethylamino)propanoate is sourced from PubChem (CID 103773961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).