amino 2-(hexanoylamino)hexanoate

C12H24N2O3 — CID 175280539

IUPACamino 2-(hexanoylamino)hexanoate
SMILESCCCCCC(=O)NC(CCCC)C(=O)ON
InChIInChI=1S/C12H24N2O3/c1-3-5-7-9-11(15)14-10(8-6-4-2)12(16)17-13/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeySYKZNNJUKNRXNO-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.66
Rot. Bonds9

About amino 2-(hexanoylamino)hexanoate

amino 2-(hexanoylamino)hexanoate (PubChem CID 175280539) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is amino 2-(hexanoylamino)hexanoate.

Molecular Properties

Compound Nameamino 2-(hexanoylamino)hexanoate
PubChem CID175280539
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameamino 2-(hexanoylamino)hexanoate
SMILESCCCCCC(=O)NC(CCCC)C(=O)ON
InChIInChI=1S/C12H24N2O3/c1-3-5-7-9-11(15)14-10(8-6-4-2)12(16)17-13/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeySYKZNNJUKNRXNO-UHFFFAOYSA-N
XLogP1.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(hexanoylamino)hexanoic acid
CID 22214794
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
methyl (2S)-6-amino-2-(hexanoylamino)hexanoate;hydrochloride
CID 139747239
ethyl 5-amino-2-(hexanoylamino)-5-oxopentanoate
CID 145415933
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
dimethyl 2-(hexadecanoylamino)pentanedioate
CID 23539986
propyl (2S)-6-amino-2-(dodecanoylamino)hexanoate
CID 20606573
hexadecyl 6-amino-2-(hexadecanoylamino)hexanoate
CID 139584800
2-[[(4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]hexanoic acid
CID 141377961
ethyl 5-(aminomethylamino)-2-(undecanoylamino)pentanoate
CID 126551698

Frequently Asked Questions

What is the IUPAC name of amino 2-(hexanoylamino)hexanoate?
The IUPAC name of amino 2-(hexanoylamino)hexanoate (CID 175280539) is amino 2-(hexanoylamino)hexanoate.
What is the SMILES notation for amino 2-(hexanoylamino)hexanoate?
The canonical SMILES for amino 2-(hexanoylamino)hexanoate is CCCCCC(=O)NC(CCCC)C(=O)ON.
What is the InChIKey of amino 2-(hexanoylamino)hexanoate?
The InChIKey is SYKZNNJUKNRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-7-9-11(15)14-10(8-6-4-2)12(16)17-13/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of amino 2-(hexanoylamino)hexanoate?
amino 2-(hexanoylamino)hexanoate has a molecular weight of 244.33 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(hexanoylamino)hexanoate is sourced from PubChem (CID 175280539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).