tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate

C11H17NO4 — CID 12071973

IUPACtert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ccco1
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)8(12)9(13)7-5-4-6-15-7/h4-6,8-9,13H,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyFUZVCRTWMYFGQA-BDAKNGLRSA-N
MW227.26 g/mol
LogP0.98
Rot. Bonds3

About tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate

tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate (PubChem CID 12071973) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
PubChem CID12071973
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nametert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ccco1
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)8(12)9(13)7-5-4-6-15-7/h4-6,8-9,13H,12H2,1-3H3/t8-,9+/m1/s1
InChIKeyFUZVCRTWMYFGQA-BDAKNGLRSA-N
XLogP0.98
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3,3-dichloro-2-(furan-2-yl)propanoate
CID 70473131
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl (2R,3S)-2-amino-3-hydroxy-3-(3-methyl-2-pyridinyl)propanoate
CID 125456367
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428
tert-butyl (2S,3R)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoate
CID 46900208
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
CID 125456376
(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544678
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
tert-butyl (2S,3S)-2-amino-3-(2-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125456888
methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 69345751

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate?
The IUPAC name of tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate (CID 12071973) is tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate.
What is the SMILES notation for tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate?
The canonical SMILES for tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate is CC(C)(C)OC(=O)[C@H](N)[C@@H](O)c1ccco1.
What is the InChIKey of tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate?
The InChIKey is FUZVCRTWMYFGQA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)8(12)9(13)7-5-4-6-15-7/h4-6,8-9,13H,12H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate?
tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate has a molecular weight of 227.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-amino-3-(furan-2-yl)-3-hydroxypropanoate is sourced from PubChem (CID 12071973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).