(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane

C11H27NO4 — CID 88656909

IUPAC(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane
SMILESCC(C)[C@H](N)C(=O)O.CCO.CCOCC
InChIInChI=1S/C5H11NO2.C4H10O.C2H6O/c1-3(2)4(6)5(7)8;1-3-5-4-2;1-2-3/h3-4H,6H2,1-2H3,(H,7,8);3-4H2,1-2H3;3H,2H2,1H3/t4-;;/m0../s1
InChIKeyWQUOMQVCPZTXDP-FHNDMYTFSA-N
MW237.34 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane

(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane (PubChem CID 88656909) has the molecular formula C11H27NO4 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane
PubChem CID88656909
Molecular FormulaC11H27NO4
Molecular Weight237.34 g/mol
Exact Mass237.19
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane
SMILESCC(C)[C@H](N)C(=O)O.CCO.CCOCC
InChIInChI=1S/C5H11NO2.C4H10O.C2H6O/c1-3(2)4(6)5(7)8;1-3-5-4-2;1-2-3/h3-4H,6H2,1-2H3,(H,7,8);3-4H2,1-2H3;3H,2H2,1H3/t4-;;/m0../s1
InChIKeyWQUOMQVCPZTXDP-FHNDMYTFSA-N
XLogP1.10
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
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
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87148112
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
2-amino-3-methylbutanoic acid;methyl acetate
CID 174767178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane (CID 88656909) is (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane is CC(C)[C@H](N)C(=O)O.CCO.CCOCC.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane?
The InChIKey is WQUOMQVCPZTXDP-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H11NO2.C4H10O.C2H6O/c1-3(2)4(6)5(7)8;1-3-5-4-2;1-2-3/h3-4H,6H2,1-2H3,(H,7,8);3-4H2,1-2H3;3H,2H2,1H3/t4-;;/m0../s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane?
(2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane has a molecular weight of 237.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;ethanol;ethoxyethane is sourced from PubChem (CID 88656909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).