2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid

C22H41NO2 — CID 101275431

IUPAC2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid
SMILESCCCC/C=C/CCC(C)N(CC(=O)O)C(C)CC/C=C/CCCC
InChIInChI=1S/C22H41NO2/c1-5-7-9-11-13-15-17-20(3)23(19-22(24)25)21(4)18-16-14-12-10-8-6-2/h11-14,20-21H,5-10,15-19H2,1-4H3,(H,24,25)/b13-11+,14-12+
InChIKeyJASNMXCDQOCECL-PHEQNACWSA-N
MW351.58 g/mol
LogP6.20
Rot. Bonds16

About 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid

2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid (PubChem CID 101275431) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid
PubChem CID101275431
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid
SMILESCCCC/C=C/CCC(C)N(CC(=O)O)C(C)CC/C=C/CCCC
InChIInChI=1S/C22H41NO2/c1-5-7-9-11-13-15-17-20(3)23(19-22(24)25)21(4)18-16-14-12-10-8-6-2/h11-14,20-21H,5-10,15-19H2,1-4H3,(H,24,25)/b13-11+,14-12+
InChIKeyJASNMXCDQOCECL-PHEQNACWSA-N
XLogP6.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid?
The IUPAC name of 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid (CID 101275431) is 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid?
The canonical SMILES for 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid is CCCC/C=C/CCC(C)N(CC(=O)O)C(C)CC/C=C/CCCC.
What is the InChIKey of 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid?
The InChIKey is JASNMXCDQOCECL-PHEQNACWSA-N. The full InChI is InChI=1S/C22H41NO2/c1-5-7-9-11-13-15-17-20(3)23(19-22(24)25)21(4)18-16-14-12-10-8-6-2/h11-14,20-21H,5-10,15-19H2,1-4H3,(H,24,25)/b13-11+,14-12+.
What are the key properties of 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid?
2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid has a molecular weight of 351.58 g/mol, XLogP of 6.20, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(E)-dec-5-en-2-yl]amino]acetic acid is sourced from PubChem (CID 101275431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).