ethoxycarbonyl 11-aminoundecanoate;hydrochloride

C14H28ClNO4 — CID 174925199

IUPACethoxycarbonyl 11-aminoundecanoate;hydrochloride
SMILESCCOC(=O)OC(=O)CCCCCCCCCCN.Cl
InChIInChI=1S/C14H27NO4.ClH/c1-2-18-14(17)19-13(16)11-9-7-5-3-4-6-8-10-12-15;/h2-12,15H2,1H3;1H
InChIKeyRBTXOAMQXBVIBS-UHFFFAOYSA-N
MW309.83 g/mol
LogP3.58
Rot. Bonds11

About ethoxycarbonyl 11-aminoundecanoate;hydrochloride

ethoxycarbonyl 11-aminoundecanoate;hydrochloride (PubChem CID 174925199) has the molecular formula C14H28ClNO4 and a molecular weight of 309.83 g/mol. Its IUPAC name is ethoxycarbonyl 11-aminoundecanoate;hydrochloride.

Molecular Properties

Compound Nameethoxycarbonyl 11-aminoundecanoate;hydrochloride
PubChem CID174925199
Molecular FormulaC14H28ClNO4
Molecular Weight309.83 g/mol
Exact Mass309.17
IUPAC Nameethoxycarbonyl 11-aminoundecanoate;hydrochloride
SMILESCCOC(=O)OC(=O)CCCCCCCCCCN.Cl
InChIInChI=1S/C14H27NO4.ClH/c1-2-18-14(17)19-13(16)11-9-7-5-3-4-6-8-10-12-15;/h2-12,15H2,1H3;1H
InChIKeyRBTXOAMQXBVIBS-UHFFFAOYSA-N
XLogP3.58
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(ethoxycarbonyl) octanedioate
CID 175404466
ethyl 16-aminohexadecanoate;hydrobromide
CID 173405590
9-aminononanoyl 12-aminododecanoate
CID 88667925
ethoxycarbonyl octadec-9-enoate
CID 173332597
ethyl 4-aminobutanoate;hydrochloride
CID 12649661
methyl 11-aminoundecanoate;hydrochloride
CID 12720706
diethyl icosanedioate
CID 5058538
methyl 10-aminodecanoate
CID 10655700
butan-2-yl 7-aminoheptanoate
CID 60902438
diethyl hexanedioate
CID 160747628
butyl 7-aminoheptanoate
CID 20502898
but-2-enoyl 8-aminooctanoate
CID 174837236

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 11-aminoundecanoate;hydrochloride?
The IUPAC name of ethoxycarbonyl 11-aminoundecanoate;hydrochloride (CID 174925199) is ethoxycarbonyl 11-aminoundecanoate;hydrochloride.
What is the SMILES notation for ethoxycarbonyl 11-aminoundecanoate;hydrochloride?
The canonical SMILES for ethoxycarbonyl 11-aminoundecanoate;hydrochloride is CCOC(=O)OC(=O)CCCCCCCCCCN.Cl.
What is the InChIKey of ethoxycarbonyl 11-aminoundecanoate;hydrochloride?
The InChIKey is RBTXOAMQXBVIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4.ClH/c1-2-18-14(17)19-13(16)11-9-7-5-3-4-6-8-10-12-15;/h2-12,15H2,1H3;1H.
What are the key properties of ethoxycarbonyl 11-aminoundecanoate;hydrochloride?
ethoxycarbonyl 11-aminoundecanoate;hydrochloride has a molecular weight of 309.83 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 11-aminoundecanoate;hydrochloride is sourced from PubChem (CID 174925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).