(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid

C10H20O3 — CID 143229027

IUPAC(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCCC(C(=O)O)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-6-8(9(11)12)7(2)13-10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyAZMYTJXADOANDQ-GVHYBUMESA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds4

About (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid

(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 143229027) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID143229027
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCCC(C(=O)O)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C10H20O3/c1-6-8(9(11)12)7(2)13-10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12)/t7-,8?/m1/s1
InChIKeyAZMYTJXADOANDQ-GVHYBUMESA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

2-ethyl-3-methoxybutanoic acid
CID 54291806
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 87326965
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 94427029
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
[(3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 154960601
[(2R,3R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamic acid
CID 90422490
2,3-diethyl-4-oxopentanoic acid
CID 20649735
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
tert-butyl 2-[(R)-amino(hydroxy)methyl]butanoate
CID 87468995

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 143229027) is (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid is CCC(C(=O)O)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is AZMYTJXADOANDQ-GVHYBUMESA-N. The full InChI is InChI=1S/C10H20O3/c1-6-8(9(11)12)7(2)13-10(3,4)5/h7-8H,6H2,1-5H3,(H,11,12)/t7-,8?/m1/s1.
What are the key properties of (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 143229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).