[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate

C10H19NO4 — CID 162816355

IUPAC[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@@H](O)C(=O)O[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5(2)7(12)10(14)15-8(6(3)4)9(11)13/h5-8,12H,1-4H3,(H2,11,13)/t7-,8-/m1/s1
InChIKeyAFQXBFSUWNVPRZ-HTQZYQBOSA-N
MW217.26 g/mol
LogP0.06
Rot. Bonds5

About [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate

[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate (PubChem CID 162816355) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
PubChem CID162816355
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@@H](O)C(=O)O[C@@H](C(N)=O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5(2)7(12)10(14)15-8(6(3)4)9(11)13/h5-8,12H,1-4H3,(H2,11,13)/t7-,8-/m1/s1
InChIKeyAFQXBFSUWNVPRZ-HTQZYQBOSA-N
XLogP0.06
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
CID 163043863
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509
2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
CID 57022822
CID 58373917
CID 58373917
(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite
CID 129035728
(2R,3R)-2-hydroxy-3-methoxybutanediamide
CID 131227841
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
[(2R)-1-chloro-3-methyl-1-oxobutan-2-yl] carbamate
CID 175483602
[(2S,3S)-1-amino-3-carbamoyloxy-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 163737512
methyl (2S)-2-(2-bromopropanoyloxy)-3-methylbutanoate
CID 100971142

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate?
The IUPAC name of [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate (CID 162816355) is [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate?
The canonical SMILES for [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate is CC(C)[C@@H](O)C(=O)O[C@@H](C(N)=O)C(C)C.
What is the InChIKey of [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate?
The InChIKey is AFQXBFSUWNVPRZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5(2)7(12)10(14)15-8(6(3)4)9(11)13/h5-8,12H,1-4H3,(H2,11,13)/t7-,8-/m1/s1.
What are the key properties of [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate?
[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate has a molecular weight of 217.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 162816355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).