tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate

C8H17NO3 — CID 142791609

IUPACtert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
SMILESCN[C@@H](CO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6(5-10)9-4/h6,9-10H,5H2,1-4H3/t6-/m0/s1
InChIKeyYTNKTJUAPQIRLT-LURJTMIESA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds3

About tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate

tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate (PubChem CID 142791609) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
PubChem CID142791609
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
SMILESCN[C@@H](CO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6(5-10)9-4/h6,9-10H,5H2,1-4H3/t6-/m0/s1
InChIKeyYTNKTJUAPQIRLT-LURJTMIESA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-(ethylamino)-3-hydroxypropanoate
CID 146238971
acetylene;tert-butyl 2-(methylamino)-4-oxopentanoate;ethane
CID 142026196
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
CID 88977246
CID 88977246
tert-butyl 5,5,5-trifluoro-2-(methylamino)-4-(trifluoromethyl)pentanoate
CID 147993070
tert-butyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 174668046
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
2-methoxyethyl 3-hydroxy-2-(methylamino)propanoate
CID 91412717

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The IUPAC name of tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate (CID 142791609) is tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate.
What is the SMILES notation for tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The canonical SMILES for tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate is CN[C@@H](CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The InChIKey is YTNKTJUAPQIRLT-LURJTMIESA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)6(5-10)9-4/h6,9-10H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate?
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate is sourced from PubChem (CID 142791609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).