tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate

C11H23NO3 — CID 134164851

IUPACtert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H23NO3/c1-7(2)12-9(8(3)13)10(14)15-11(4,5)6/h7-9,12-13H,1-6H3/t8-,9+/m1/s1
InChIKeyROFIOPBAOPAYON-BDAKNGLRSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds4

About tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate

tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate (PubChem CID 134164851) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
PubChem CID134164851
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H23NO3/c1-7(2)12-9(8(3)13)10(14)15-11(4,5)6/h7-9,12-13H,1-6H3/t8-,9+/m1/s1
InChIKeyROFIOPBAOPAYON-BDAKNGLRSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
tert-butyl (2S,3S)-3-hydroxy-2-[(2,2,2-trichloroacetyl)amino]butanoate
CID 121215678
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
(4S,5R)-5-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)hexan-3-one
CID 177276699
tert-butyl N-[(3S,4R)-1-amino-4-hydroxy-1,2-dioxopentan-3-yl]carbamate
CID 130405478
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate
CID 158674360
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2S)-2-[[(2R,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]propanoate
CID 10403530
(4R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 155043416

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The IUPAC name of tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate (CID 134164851) is tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The canonical SMILES for tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate is CC(C)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The InChIKey is ROFIOPBAOPAYON-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H23NO3/c1-7(2)12-9(8(3)13)10(14)15-11(4,5)6/h7-9,12-13H,1-6H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 134164851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).