2-(undec-2-enoylamino)acetic acid

C13H23NO3 — CID 54032715

IUPAC2-(undec-2-enoylamino)acetic acid
SMILESCCCCCCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h9-10H,2-8,11H2,1H3,(H,14,15)(H,16,17)
InChIKeyLGTBSXHYVAETTG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds10

About 2-(undec-2-enoylamino)acetic acid

2-(undec-2-enoylamino)acetic acid (PubChem CID 54032715) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(undec-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(undec-2-enoylamino)acetic acid
PubChem CID54032715
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(undec-2-enoylamino)acetic acid
SMILESCCCCCCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h9-10H,2-8,11H2,1H3,(H,14,15)(H,16,17)
InChIKeyLGTBSXHYVAETTG-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Carboxymethyl)dimethyl(3-((1-oxoundecenyl)amino)propyl)ammonium hydroxide
CID 44145033
Motualevic Acid A
CID 25242622
2-[[(E)-hex-2-enoyl]amino]acetic acid
CID 49797858
2-[[(E)-dodec-2-enoyl]amino]acetic acid
CID 49797857
2-[[(2E)-7,7-dibromohepta-2,6-dienoyl]amino]acetic acid
CID 49797859
2-[[(2E)-12,12-dibromododeca-2,11-dienoyl]amino]acetic acid
CID 49797861
Docosahexaenoylglycine
CID 53442581
Heptenoylglycine
CID 129822181
N-(2-hydroxyethyl)undec-2-enamide
CID 53876632
Hexenoylglycine
CID 75296755
Methylcrotonylglycine
CID 87265616
N-(2-hydroxyethyl)heptadec-2-enamide
CID 87530503

Frequently Asked Questions

What is the IUPAC name of 2-(undec-2-enoylamino)acetic acid?
The IUPAC name of 2-(undec-2-enoylamino)acetic acid (CID 54032715) is 2-(undec-2-enoylamino)acetic acid.
What is the SMILES notation for 2-(undec-2-enoylamino)acetic acid?
The canonical SMILES for 2-(undec-2-enoylamino)acetic acid is CCCCCCCCC=CC(=O)NCC(=O)O.
What is the InChIKey of 2-(undec-2-enoylamino)acetic acid?
The InChIKey is LGTBSXHYVAETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h9-10H,2-8,11H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(undec-2-enoylamino)acetic acid?
2-(undec-2-enoylamino)acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-2-enoylamino)acetic acid is sourced from PubChem (CID 54032715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).