(2R)-2-acetamidohexanoate

C8H14NO3- — CID 6995105

IUPAC(2R)-2-acetamidohexanoate
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)/p-1/t7-/m1/s1
InChIKeyJDMCEGLQFSOMQH-SSDOTTSWSA-M
MW172.20 g/mol
LogP-0.57
Rot. Bonds5

About (2R)-2-acetamidohexanoate

(2R)-2-acetamidohexanoate (PubChem CID 6995105) has the molecular formula C8H14NO3- and a molecular weight of 172.20 g/mol. Its IUPAC name is (2R)-2-acetamidohexanoate.

Molecular Properties

Compound Name(2R)-2-acetamidohexanoate
PubChem CID6995105
Molecular FormulaC8H14NO3-
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(2R)-2-acetamidohexanoate
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)/p-1/t7-/m1/s1
InChIKeyJDMCEGLQFSOMQH-SSDOTTSWSA-M
XLogP-0.57
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamidohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamidohexanoate?
The IUPAC name of (2R)-2-acetamidohexanoate (CID 6995105) is (2R)-2-acetamidohexanoate.
What is the SMILES notation for (2R)-2-acetamidohexanoate?
The canonical SMILES for (2R)-2-acetamidohexanoate is CCCC[C@@H](NC(C)=O)C(=O)[O-].
What is the InChIKey of (2R)-2-acetamidohexanoate?
The InChIKey is JDMCEGLQFSOMQH-SSDOTTSWSA-M. 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)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-acetamidohexanoate?
(2R)-2-acetamidohexanoate has a molecular weight of 172.20 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamidohexanoate is sourced from PubChem (CID 6995105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).