acetamido 2-aminohexanoate

C8H16N2O3 — CID 91872433

IUPACacetamido 2-aminohexanoate
SMILESCCCCC(N)C(=O)ONC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-5-7(9)8(12)13-10-6(2)11/h7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyDSWXVOMCGBLLHJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.10
Rot. Bonds4

About acetamido 2-aminohexanoate

acetamido 2-aminohexanoate (PubChem CID 91872433) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is acetamido 2-aminohexanoate.

Molecular Properties

Compound Nameacetamido 2-aminohexanoate
PubChem CID91872433
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameacetamido 2-aminohexanoate
SMILESCCCCC(N)C(=O)ONC(C)=O
InChIInChI=1S/C8H16N2O3/c1-3-4-5-7(9)8(12)13-10-6(2)11/h7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyDSWXVOMCGBLLHJ-UHFFFAOYSA-N
XLogP0.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetamido (2S)-2,6-diaminohexanoate
CID 57012610
methyl (2S)-2-aminohexanoate
CID 7018840
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
hexadecyl (2S)-2-aminohexanoate
CID 10808138
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
acetamido hexanoate
CID 57050446
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381

Frequently Asked Questions

What is the IUPAC name of acetamido 2-aminohexanoate?
The IUPAC name of acetamido 2-aminohexanoate (CID 91872433) is acetamido 2-aminohexanoate.
What is the SMILES notation for acetamido 2-aminohexanoate?
The canonical SMILES for acetamido 2-aminohexanoate is CCCCC(N)C(=O)ONC(C)=O.
What is the InChIKey of acetamido 2-aminohexanoate?
The InChIKey is DSWXVOMCGBLLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-5-7(9)8(12)13-10-6(2)11/h7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of acetamido 2-aminohexanoate?
acetamido 2-aminohexanoate has a molecular weight of 188.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 2-aminohexanoate is sourced from PubChem (CID 91872433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).