2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid

C12H27NO5 — CID 159572684

IUPAC2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid
SMILESC.C.CC(C)C(=O)C(=O)O.CC(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2.C5H8O3.2CH4/c2*1-3(2)4(6)5(7)8;;/h3-4H,6H2,1-2H3,(H,7,8);3H,1-2H3,(H,7,8);2*1H4
InChIKeyMIACTSBSBXUQOZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid

2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid (PubChem CID 159572684) has the molecular formula C12H27NO5 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid
PubChem CID159572684
Molecular FormulaC12H27NO5
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid
SMILESC.C.CC(C)C(=O)C(=O)O.CC(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2.C5H8O3.2CH4/c2*1-3(2)4(6)5(7)8;;/h3-4H,6H2,1-2H3,(H,7,8);3H,1-2H3,(H,7,8);2*1H4
InChIKeyMIACTSBSBXUQOZ-UHFFFAOYSA-N
XLogP1.62
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
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CID 159678853
(2S)-2-amino-3-methylbutanoic acid;2-aminoprop-2-enoic acid
CID 87398128
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid?
The IUPAC name of 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid (CID 159572684) is 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid?
The canonical SMILES for 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid is C.C.CC(C)C(=O)C(=O)O.CC(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid?
The InChIKey is MIACTSBSBXUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H8O3.2CH4/c2*1-3(2)4(6)5(7)8;;/h3-4H,6H2,1-2H3,(H,7,8);3H,1-2H3,(H,7,8);2*1H4.
What are the key properties of 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid?
2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;methane;3-methyl-2-oxobutanoic acid is sourced from PubChem (CID 159572684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).