dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid

C9H14F3NO7 — CID 11370186

IUPACdimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)[C@@H](OC)[C@@H](N)C(=O)OC.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO5.C2HF3O2/c1-11-5(7(10)13-3)4(8)6(9)12-2;3-2(4,5)1(6)7/h4-5H,8H2,1-3H3;(H,6,7)/t4-,5+;/m1./s1
InChIKeyBBGPWXVUSUYJHY-JBUOLDKXSA-N
MW305.21 g/mol
LogP-0.69
Rot. Bonds4

About dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid

dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid (PubChem CID 11370186) has the molecular formula C9H14F3NO7 and a molecular weight of 305.21 g/mol. Its IUPAC name is dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namedimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
PubChem CID11370186
Molecular FormulaC9H14F3NO7
Molecular Weight305.21 g/mol
Exact Mass305.07
IUPAC Namedimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)[C@@H](OC)[C@@H](N)C(=O)OC.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO5.C2HF3O2/c1-11-5(7(10)13-3)4(8)6(9)12-2;3-2(4,5)1(6)7/h4-5H,8H2,1-3H3;(H,6,7)/t4-,5+;/m1./s1
InChIKeyBBGPWXVUSUYJHY-JBUOLDKXSA-N
XLogP-0.69
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
methyl (2S)-3-hydroxy-3-methyl-2-(methylamino)butanoate;2,2,2-trifluoroacetic acid
CID 175987432
methyl 2-amino-4,4,4-trifluoro-3-methoxybutanoate
CID 167732301
methyl 2-methoxybutanoate;2,2,2-trifluoroacetic acid
CID 87814494
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
methyl (2R)-2-amino-3-fluoro-3-methylbutanoate
CID 91978307
1-methoxyethanamine;2,2,3,3,3-pentafluoropropanoic acid
CID 174560445
(3R)-3-amino-2-tert-butyl-4-methoxy-4-oxobutanoic acid
CID 91435919
methyl (2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate;2,2,2-trifluoroacetic acid
CID 170908001
methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid?
The IUPAC name of dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid (CID 11370186) is dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid?
The canonical SMILES for dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid is COC(=O)[C@@H](OC)[C@@H](N)C(=O)OC.O=C(O)C(F)(F)F.
What is the InChIKey of dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid?
The InChIKey is BBGPWXVUSUYJHY-JBUOLDKXSA-N. The full InChI is InChI=1S/C7H13NO5.C2HF3O2/c1-11-5(7(10)13-3)4(8)6(9)12-2;3-2(4,5)1(6)7/h4-5H,8H2,1-3H3;(H,6,7)/t4-,5+;/m1./s1.
What are the key properties of dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid?
dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid has a molecular weight of 305.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3S)-2-amino-3-methoxybutanedioate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11370186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).