(2R)-2-acetamidohexanoic acid

C8H15NO3 — CID 6995106

IUPAC(2R)-2-acetamidohexanoic acid
SMILESCCCC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyJDMCEGLQFSOMQH-SSDOTTSWSA-N
MW173.21 g/mol
LogP0.77
Rot. Bonds5

About (2R)-2-acetamidohexanoic acid

(2R)-2-acetamidohexanoic acid (PubChem CID 6995106) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R)-2-acetamidohexanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamidohexanoic acid
PubChem CID6995106
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R)-2-acetamidohexanoic acid
SMILESCCCC[C@@H](NC(C)=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKeyJDMCEGLQFSOMQH-SSDOTTSWSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamidohexanoic acid?
The IUPAC name of (2R)-2-acetamidohexanoic acid (CID 6995106) is (2R)-2-acetamidohexanoic acid.
What is the SMILES notation for (2R)-2-acetamidohexanoic acid?
The canonical SMILES for (2R)-2-acetamidohexanoic acid is CCCC[C@@H](NC(C)=O)C(=O)O.
What is the InChIKey of (2R)-2-acetamidohexanoic acid?
The InChIKey is JDMCEGLQFSOMQH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-acetamidohexanoic acid?
(2R)-2-acetamidohexanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamidohexanoic acid is sourced from PubChem (CID 6995106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).