6-acetamido-3-aminohexanoate

C8H15N2O3- — CID 5459888

IUPAC6-acetamido-3-aminohexanoate
SMILESCC(=O)NCCCC(N)CC(=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/p-1
InChIKeyMBZWIPOSTWTKSV-UHFFFAOYSA-M
MW187.22 g/mol
LogP-1.63
Rot. Bonds6

About 6-acetamido-3-aminohexanoate

6-acetamido-3-aminohexanoate (PubChem CID 5459888) has the molecular formula C8H15N2O3- and a molecular weight of 187.22 g/mol. Its IUPAC name is 6-acetamido-3-aminohexanoate.

Molecular Properties

Compound Name6-acetamido-3-aminohexanoate
PubChem CID5459888
Molecular FormulaC8H15N2O3-
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name6-acetamido-3-aminohexanoate
SMILESCC(=O)NCCCC(N)CC(=O)[O-]
InChIInChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/p-1
InChIKeyMBZWIPOSTWTKSV-UHFFFAOYSA-M
XLogP-1.63
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-acetamido-3-aminohexanoate?
The IUPAC name of 6-acetamido-3-aminohexanoate (CID 5459888) is 6-acetamido-3-aminohexanoate.
What is the SMILES notation for 6-acetamido-3-aminohexanoate?
The canonical SMILES for 6-acetamido-3-aminohexanoate is CC(=O)NCCCC(N)CC(=O)[O-].
What is the InChIKey of 6-acetamido-3-aminohexanoate?
The InChIKey is MBZWIPOSTWTKSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/p-1.
What are the key properties of 6-acetamido-3-aminohexanoate?
6-acetamido-3-aminohexanoate has a molecular weight of 187.22 g/mol, XLogP of -1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-aminohexanoate is sourced from PubChem (CID 5459888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).