2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid

C22H37NO3 — CID 21298048

IUPAC2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)NCC(=O)O
InChIInChI=1S/C22H37NO3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-21(24)23-16-22(25)26/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,23,24)(H,25,26)/b18-11+,19-13+
InChIKeyKOXOCDDUKXNAHH-NWLVNBMCSA-N
MW363.54 g/mol
LogP5.41
Rot. Bonds13

About 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid

2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid (PubChem CID 21298048) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid
PubChem CID21298048
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)NCC(=O)O
InChIInChI=1S/C22H37NO3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-21(24)23-16-22(25)26/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,23,24)(H,25,26)/b18-11+,19-13+
InChIKeyKOXOCDDUKXNAHH-NWLVNBMCSA-N
XLogP5.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
(2E,6E)-3,7,11-trimethyl-N-[(5E)-2,6,10-trimethylundeca-5,9-dienyl]dodeca-2,6,10-trien-1-amine
CID 10431909
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839

Frequently Asked Questions

What is the IUPAC name of 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid?
The IUPAC name of 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid (CID 21298048) is 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid?
The canonical SMILES for 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid?
The InChIKey is KOXOCDDUKXNAHH-NWLVNBMCSA-N. The full InChI is InChI=1S/C22H37NO3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-21(24)23-16-22(25)26/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,23,24)(H,25,26)/b18-11+,19-13+.
What are the key properties of 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid?
2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid has a molecular weight of 363.54 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid is sourced from PubChem (CID 21298048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).