(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid

C6H13NO2 — CID 141141472

IUPAC(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid
SMILES[2H]CC(C)[C@](C)(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1/i1D/t4?,6-
InChIKeyGPYTYOMSQHBYTK-SJDRVCSWSA-N
MW132.18 g/mol
LogP0.44
Rot. Bonds3

About (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid

(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid (PubChem CID 141141472) has the molecular formula C6H13NO2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid
PubChem CID141141472
Molecular FormulaC6H13NO2
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid
SMILES[2H]CC(C)[C@](C)(N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1/i1D/t4?,6-
InChIKeyGPYTYOMSQHBYTK-SJDRVCSWSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
2-amino-2,3-dimethylbutanoic acid;diphenylmethanone
CID 174596221
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
CID 175971387
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
(2S)-2-amino-3-tert-butyl-2-methylbutanedioic acid
CID 54112864
(2R)-2-amino-2-hydrazinyl-3-methylbutanoic acid
CID 175718483
(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
2,3-diamino-2-methylpentanoic acid
CID 174904940
potassium;carbonic acid;hydride;2,3,4-trimethylpentan-3-amine
CID 174931544
4-amino-2,2,3-trimethyl-4-oxobutanoic acid
CID 91540382
2-acetyl-2-amino-3-methylbutanoic acid
CID 18917748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid (CID 141141472) is (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid is [2H]CC(C)[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid?
The InChIKey is GPYTYOMSQHBYTK-SJDRVCSWSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1/i1D/t4?,6-.
What are the key properties of (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid?
(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid has a molecular weight of 132.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid is sourced from PubChem (CID 141141472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).