2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid

C16H30N2O5 — CID 101284128

IUPAC2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid
SMILESCCCC/C=C/CCCC(=O)NCCN(CC(=O)O)C(O)CO
InChIInChI=1S/C16H30N2O5/c1-2-3-4-5-6-7-8-9-14(20)17-10-11-18(12-16(22)23)15(21)13-19/h5-6,15,19,21H,2-4,7-13H2,1H3,(H,17,20)(H,22,23)/b6-5+
InChIKeyQEPPVUPJSOPEBA-AATRIKPKSA-N
MW330.43 g/mol
LogP0.72
Rot. Bonds14

About 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid

2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid (PubChem CID 101284128) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid
PubChem CID101284128
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid
SMILESCCCC/C=C/CCCC(=O)NCCN(CC(=O)O)C(O)CO
InChIInChI=1S/C16H30N2O5/c1-2-3-4-5-6-7-8-9-14(20)17-10-11-18(12-16(22)23)15(21)13-19/h5-6,15,19,21H,2-4,7-13H2,1H3,(H,17,20)(H,22,23)/b6-5+
InChIKeyQEPPVUPJSOPEBA-AATRIKPKSA-N
XLogP0.72
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid
CID 101284148
2-[1,2-dihydroxyethyl-[2-[[(E)-undec-7-enoyl]amino]ethyl]amino]acetic acid
CID 101284138
2-[1,2-dihydroxyethyl-[2-(pentadecanoylamino)ethyl]amino]acetic acid
CID 101284103
2-[1,2-dihydroxyethyl-[2-(non-8-enoylamino)ethyl]amino]acetic acid
CID 101284124
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
2-[2-hydroxypropyl-[2-[[(E)-oct-5-enoyl]amino]ethyl]amino]acetic acid
CID 101286449
N-[2-(dimethylamino)ethyl]icosa-5,8,11,14-tetraenamide
CID 90799931
2-[1-(carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]amino]acetic acid
CID 135345750
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
(E)-N-[2-[3-hydroxypropyl-[2-[[(E)-non-5-enoyl]amino]ethyl]amino]ethyl]non-5-enamide
CID 101285730
2-[2-hydroxyethyl-[1-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
CID 141398298
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid (CID 101284128) is 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid is CCCC/C=C/CCCC(=O)NCCN(CC(=O)O)C(O)CO.
What is the InChIKey of 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid?
The InChIKey is QEPPVUPJSOPEBA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-2-3-4-5-6-7-8-9-14(20)17-10-11-18(12-16(22)23)15(21)13-19/h5-6,15,19,21H,2-4,7-13H2,1H3,(H,17,20)(H,22,23)/b6-5+.
What are the key properties of 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid?
2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid has a molecular weight of 330.43 g/mol, XLogP of 0.72, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid is sourced from PubChem (CID 101284128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).