methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate

C6H13NO3 — CID 11615188

IUPACmethyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC)[C@@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(8)5(7-2)6(9)10-3/h4-5,7-8H,1-3H3/t4-,5+/m1/s1
InChIKeyBZTAVCVTBAXONH-UHNVWZDZSA-N
MW147.17 g/mol
LogP-0.87
Rot. Bonds3

About methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate

methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate (PubChem CID 11615188) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
PubChem CID11615188
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
SMILESCN[C@H](C(=O)OC)[C@@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(8)5(7-2)6(9)10-3/h4-5,7-8H,1-3H3/t4-,5+/m1/s1
InChIKeyBZTAVCVTBAXONH-UHNVWZDZSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate
CID 88662709
methyl (E,2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoate
CID 15735829
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate (CID 11615188) is methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate is CN[C@H](C(=O)OC)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate?
The InChIKey is BZTAVCVTBAXONH-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(8)5(7-2)6(9)10-3/h4-5,7-8H,1-3H3/t4-,5+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate?
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate has a molecular weight of 147.17 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate is sourced from PubChem (CID 11615188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).