ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate

C11H22N2O4 — CID 139792827

IUPACethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
SMILESCCOC(=O)NC(CCCCN)C(=O)OCC
InChIInChI=1S/C11H22N2O4/c1-3-16-10(14)9(7-5-6-8-12)13-11(15)17-4-2/h9H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyBGQZRNZNJNTEJX-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.79
Rot. Bonds8

About ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate

ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate (PubChem CID 139792827) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
PubChem CID139792827
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
SMILESCCOC(=O)NC(CCCCN)C(=O)OCC
InChIInChI=1S/C11H22N2O4/c1-3-16-10(14)9(7-5-6-8-12)13-11(15)17-4-2/h9H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyBGQZRNZNJNTEJX-UHFFFAOYSA-N
XLogP0.79
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603854
ethyl 2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603912
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
tetradecyl 2-(ethoxycarbonylamino)pentanoate
CID 91718836
butyl 2-acetamido-6-aminohexanoate
CID 527831
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate?
The IUPAC name of ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate (CID 139792827) is ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate.
What is the SMILES notation for ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate?
The canonical SMILES for ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate is CCOC(=O)NC(CCCCN)C(=O)OCC.
What is the InChIKey of ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate?
The InChIKey is BGQZRNZNJNTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-16-10(14)9(7-5-6-8-12)13-11(15)17-4-2/h9H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate?
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate has a molecular weight of 246.31 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate is sourced from PubChem (CID 139792827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).