methyl (2R)-2-amino-3-methoxy-2-methylpropanoate

C6H13NO3 — CID 45086680

IUPACmethyl (2R)-2-amino-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(N)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-6(7,4-9-2)5(8)10-3/h4,7H2,1-3H3/t6-/m1/s1
InChIKeyDCTDZOZFFDUTRP-ZCFIWIBFSA-N
MW147.17 g/mol
LogP-0.48
Rot. Bonds3

About methyl (2R)-2-amino-3-methoxy-2-methylpropanoate

methyl (2R)-2-amino-3-methoxy-2-methylpropanoate (PubChem CID 45086680) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-methoxy-2-methylpropanoate
PubChem CID45086680
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (2R)-2-amino-3-methoxy-2-methylpropanoate
SMILESCOC[C@@](C)(N)C(=O)OC
InChIInChI=1S/C6H13NO3/c1-6(7,4-9-2)5(8)10-3/h4,7H2,1-3H3/t6-/m1/s1
InChIKeyDCTDZOZFFDUTRP-ZCFIWIBFSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
methyl 2-tert-butyl-2-(methoxymethyl)-3,3-dimethylbutanoate
CID 87162780
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl (2S)-2-amino-2-methylpent-4-enoate
CID 10261200
methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2S)-2-amino-3-hydroxy-2-methylpropanoate;thionyl dichloride;hydrochloride
CID 159097335
methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3-methoxy-2-methylpropanoate (CID 45086680) is methyl (2R)-2-amino-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3-methoxy-2-methylpropanoate is COC[C@@](C)(N)C(=O)OC.
What is the InChIKey of methyl (2R)-2-amino-3-methoxy-2-methylpropanoate?
The InChIKey is DCTDZOZFFDUTRP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(7,4-9-2)5(8)10-3/h4,7H2,1-3H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-methoxy-2-methylpropanoate?
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate has a molecular weight of 147.17 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 45086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).