(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid

C19H29NO5 — CID 10473146

IUPAC(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C19H29NO5/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-17(21)20-16(19(24)25)12-18(22)23/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,20,21)(H,22,23)(H,24,25)/b14-9+,15-11+/t16-/m1/s1
InChIKeyGGAMAQNICRPPQT-PKZBUFLYSA-N
MW351.44 g/mol
LogP3.45
Rot. Bonds11

About (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid

(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid (PubChem CID 10473146) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
PubChem CID10473146
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C19H29NO5/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-17(21)20-16(19(24)25)12-18(22)23/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,20,21)(H,22,23)(H,24,25)/b14-9+,15-11+/t16-/m1/s1
InChIKeyGGAMAQNICRPPQT-PKZBUFLYSA-N
XLogP3.45
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid with MolForge

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Related Compounds

(2R)-3-phosphono-2-(3,7,11-trimethyldodeca-2,6,10-trienoylamino)propanoic acid
CID 54439907
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
2-(oxaldehydoylamino)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
CID 134568509
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
4-[[1-carboxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethyl]amino]-4-oxobut-2-enoic acid
CID 87295539
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
4,8-dimethylnona-3,7-dienoic acid;(2E)-3,7-dimethylocta-2,6-dienoic acid
CID 160780461
7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058
(2R)-2-[(4-amino-4-oxobut-2-enoyl)amino]-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoic acid
CID 91336085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid?
The IUPAC name of (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid (CID 10473146) is (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid?
The canonical SMILES for (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid?
The InChIKey is GGAMAQNICRPPQT-PKZBUFLYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-17(21)20-16(19(24)25)12-18(22)23/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H,20,21)(H,22,23)(H,24,25)/b14-9+,15-11+/t16-/m1/s1.
What are the key properties of (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid?
(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid has a molecular weight of 351.44 g/mol, XLogP of 3.45, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid is sourced from PubChem (CID 10473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).