(2R,3R)-3-amino-2-ethylbutanoic acid

C6H13NO2 — CID 10678274

IUPAC(2R,3R)-3-amino-2-ethylbutanoic acid
SMILESCCC(C(=O)O)[C@@H](C)N
InChIInChI=1S/C6H13NO2/c1-3-5(4(2)7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyKGMSPEUDMJLUJD-CNZKWPKMSA-N
MW131.17 g/mol
LogP0.44
Rot. Bonds3

About (2R,3R)-3-amino-2-ethylbutanoic acid

(2R,3R)-3-amino-2-ethylbutanoic acid (PubChem CID 10678274) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-ethylbutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-ethylbutanoic acid
PubChem CID10678274
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2R,3R)-3-amino-2-ethylbutanoic acid
SMILESCCC(C(=O)O)[C@@H](C)N
InChIInChI=1S/C6H13NO2/c1-3-5(4(2)7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5?/m1/s1
InChIKeyKGMSPEUDMJLUJD-CNZKWPKMSA-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 ≤ 500131.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-ethylbutanoic acid?
The IUPAC name of (2R,3R)-3-amino-2-ethylbutanoic acid (CID 10678274) is (2R,3R)-3-amino-2-ethylbutanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-2-ethylbutanoic acid?
The canonical SMILES for (2R,3R)-3-amino-2-ethylbutanoic acid is CCC(C(=O)O)[C@@H](C)N.
What is the InChIKey of (2R,3R)-3-amino-2-ethylbutanoic acid?
The InChIKey is KGMSPEUDMJLUJD-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5(4(2)7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5?/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-ethylbutanoic acid?
(2R,3R)-3-amino-2-ethylbutanoic acid has a molecular weight of 131.17 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 (2R,3R)-3-amino-2-ethylbutanoic acid is sourced from PubChem (CID 10678274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).