(2R)-2-amino-2-ethylhexanoic acid

C8H17NO2 — CID 10261364

IUPAC(2R)-2-amino-2-ethylhexanoic acid
SMILESCCCC[C@](N)(CC)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-5-6-8(9,4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
InChIKeyQUDXVGQYPUXXER-MRVPVSSYSA-N
MW159.23 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-amino-2-ethylhexanoic acid

(2R)-2-amino-2-ethylhexanoic acid (PubChem CID 10261364) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R)-2-amino-2-ethylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-ethylhexanoic acid
PubChem CID10261364
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R)-2-amino-2-ethylhexanoic acid
SMILESCCCC[C@](N)(CC)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-5-6-8(9,4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
InChIKeyQUDXVGQYPUXXER-MRVPVSSYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-ethylhexanoic acid?
The IUPAC name of (2R)-2-amino-2-ethylhexanoic acid (CID 10261364) is (2R)-2-amino-2-ethylhexanoic acid.
What is the SMILES notation for (2R)-2-amino-2-ethylhexanoic acid?
The canonical SMILES for (2R)-2-amino-2-ethylhexanoic acid is CCCC[C@](N)(CC)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-ethylhexanoic acid?
The InChIKey is QUDXVGQYPUXXER-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-6-8(9,4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-ethylhexanoic acid?
(2R)-2-amino-2-ethylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-ethylhexanoic acid is sourced from PubChem (CID 10261364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).