(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid

C6H13NO3 — CID 139665334

IUPAC(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid
SMILES[2H]CN[C@H](C(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-6(2,10)4(7-3)5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1/i3D
InChIKeyOMDFZKXSWRGNGX-SBYFXDDNSA-N
MW148.18 g/mol
LogP-0.57
Rot. Bonds4

About (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid

(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 139665334) has the molecular formula C6H13NO3 and a molecular weight of 148.18 g/mol. Its IUPAC name is (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID139665334
Molecular FormulaC6H13NO3
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid
SMILES[2H]CN[C@H](C(=O)O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-6(2,10)4(7-3)5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1/i3D
InChIKeyOMDFZKXSWRGNGX-SBYFXDDNSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-hydroxy-3-methylbutanoic acid
CID 129319667
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
(2S)-2-(deuteriomethylamino)-3-methylbutanoic acid;hydrochloride
CID 139935333
3-methyl-2-(methylamino)-3-methylsulfanylbutanoic acid;vanadium
CID 160694927
methyl (2S)-3-hydroxy-3-methyl-2-(methylamino)butanoate;2,2,2-trifluoroacetic acid
CID 175987432
(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride
CID 156767748
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
5-amino-3,3,5-trimethyl-2-(methylamino)hexanoic acid
CID 144799447
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid (CID 139665334) is (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid is [2H]CN[C@H](C(=O)O)C(C)(C)O.
What is the InChIKey of (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is OMDFZKXSWRGNGX-SBYFXDDNSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,10)4(7-3)5(8)9/h4,7,10H,1-3H3,(H,8,9)/t4-/m1/s1/i3D.
What are the key properties of (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid?
(2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 148.18 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(deuteriomethylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 139665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).