(2R)-6-acetamido-2-aminohexanoic acid

C8H16N2O3 — CID 6994067

IUPAC(2R)-6-acetamido-2-aminohexanoic acid
SMILESCC(=O)NCCCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyDTERQYGMUDWYAZ-SSDOTTSWSA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds6

About (2R)-6-acetamido-2-aminohexanoic acid

(2R)-6-acetamido-2-aminohexanoic acid (PubChem CID 6994067) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R)-6-acetamido-2-aminohexanoic acid.

Molecular Properties

Compound Name(2R)-6-acetamido-2-aminohexanoic acid
PubChem CID6994067
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2R)-6-acetamido-2-aminohexanoic acid
SMILESCC(=O)NCCCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyDTERQYGMUDWYAZ-SSDOTTSWSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-acetamido-2-aminohexanoic acid?
The IUPAC name of (2R)-6-acetamido-2-aminohexanoic acid (CID 6994067) is (2R)-6-acetamido-2-aminohexanoic acid.
What is the SMILES notation for (2R)-6-acetamido-2-aminohexanoic acid?
The canonical SMILES for (2R)-6-acetamido-2-aminohexanoic acid is CC(=O)NCCCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-6-acetamido-2-aminohexanoic acid?
The InChIKey is DTERQYGMUDWYAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-6-acetamido-2-aminohexanoic acid?
(2R)-6-acetamido-2-aminohexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-acetamido-2-aminohexanoic acid is sourced from PubChem (CID 6994067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).