amino 2-acetamido-6-aminohexanoate

C8H17N3O3 — CID 89268103

IUPACamino 2-acetamido-6-aminohexanoate
SMILESCC(=O)NC(CCCCN)C(=O)ON
InChIInChI=1S/C8H17N3O3/c1-6(12)11-7(8(13)14-10)4-2-3-5-9/h7H,2-5,9-10H2,1H3,(H,11,12)
InChIKeyHTFCDTLYCXIRMG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.96
Rot. Bonds6

About amino 2-acetamido-6-aminohexanoate

amino 2-acetamido-6-aminohexanoate (PubChem CID 89268103) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is amino 2-acetamido-6-aminohexanoate.

Molecular Properties

Compound Nameamino 2-acetamido-6-aminohexanoate
PubChem CID89268103
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Nameamino 2-acetamido-6-aminohexanoate
SMILESCC(=O)NC(CCCCN)C(=O)ON
InChIInChI=1S/C8H17N3O3/c1-6(12)11-7(8(13)14-10)4-2-3-5-9/h7H,2-5,9-10H2,1H3,(H,11,12)
InChIKeyHTFCDTLYCXIRMG-UHFFFAOYSA-N
XLogP-0.96
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-6-amino-1-aminooxy-1-oxohexan-2-yl]carbamic acid
CID 174400939
carbamoyl (2S)-2-acetamido-6-aminohexanoate
CID 57200276
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
butyl 2-acetamido-6-aminohexanoate
CID 527831
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
CID 157010257
CID 157010257
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-6-aminohexanamide
CID 42640815
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
methyl 2-acetamidooctanoate
CID 6429509
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoic acid
CID 102595279

Frequently Asked Questions

What is the IUPAC name of amino 2-acetamido-6-aminohexanoate?
The IUPAC name of amino 2-acetamido-6-aminohexanoate (CID 89268103) is amino 2-acetamido-6-aminohexanoate.
What is the SMILES notation for amino 2-acetamido-6-aminohexanoate?
The canonical SMILES for amino 2-acetamido-6-aminohexanoate is CC(=O)NC(CCCCN)C(=O)ON.
What is the InChIKey of amino 2-acetamido-6-aminohexanoate?
The InChIKey is HTFCDTLYCXIRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(12)11-7(8(13)14-10)4-2-3-5-9/h7H,2-5,9-10H2,1H3,(H,11,12).
What are the key properties of amino 2-acetamido-6-aminohexanoate?
amino 2-acetamido-6-aminohexanoate has a molecular weight of 203.24 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-acetamido-6-aminohexanoate is sourced from PubChem (CID 89268103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).