methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate

C6H13NO3 — CID 175060753

IUPACmethyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)(N)[C@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3/t4-,6?/m0/s1
InChIKeySCUVJGLPQLNOID-VKZKZBKNSA-N
MW147.17 g/mol
LogP-0.74
Rot. Bonds2

About methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate

methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate (PubChem CID 175060753) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
PubChem CID175060753
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
SMILESCOC(=O)C(C)(N)[C@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3/t4-,6?/m0/s1
InChIKeySCUVJGLPQLNOID-VKZKZBKNSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
dimethyl (2S,3S)-2,3-dihydroxy-2-methylbutanedioate
CID 59873550
dimethyl 2,3-dihydroxy-2-methylbutanedioate
CID 22946220
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate?
The IUPAC name of methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate (CID 175060753) is methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate?
The canonical SMILES for methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate is COC(=O)C(C)(N)[C@H](C)O.
What is the InChIKey of methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate?
The InChIKey is SCUVJGLPQLNOID-VKZKZBKNSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)6(2,7)5(9)10-3/h4,8H,7H2,1-3H3/t4-,6?/m0/s1.
What are the key properties of methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate?
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate has a molecular weight of 147.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 175060753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).