2-(undec-10-enoylamino)acetic acid

C13H23NO3 — CID 10037355

IUPAC2-(undec-10-enoylamino)acetic acid
SMILESC=CCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)
InChIKeyZROLMAVYZOMHRS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds11

About 2-(undec-10-enoylamino)acetic acid

2-(undec-10-enoylamino)acetic acid (PubChem CID 10037355) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(undec-10-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(undec-10-enoylamino)acetic acid
PubChem CID10037355
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(undec-10-enoylamino)acetic acid
SMILESC=CCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2H,1,3-11H2,(H,14,15)(H,16,17)
InChIKeyZROLMAVYZOMHRS-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Arachidonoyl glycine
CID 5283389
N-Oleoylglycine
CID 6436908
Undecylenic acid monoethanolamide
CID 88588
N-Linoleoyl glycine
CID 6433346
Undecylenamidopropyl Betaine
CID 9949269
carboxymethyl-dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azanium hydroxide
CID 20838693
2-[[(Z)-13-[heptanoyl(propan-2-yl)amino]tridec-8-enoyl]amino]acetic acid
CID 66556285
N-Oleoyl alanine
CID 44423663
N-linolenoylglycine
CID 11515538
(R)-2-Oleamidopropanoic acid
CID 88494111
N-icosa-5,8,11,14-tetraenoylglycine
CID 4345
2-[[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]amino]acetic acid
CID 11559087

Frequently Asked Questions

What is the IUPAC name of 2-(undec-10-enoylamino)acetic acid?
The IUPAC name of 2-(undec-10-enoylamino)acetic acid (CID 10037355) is 2-(undec-10-enoylamino)acetic acid.
What is the SMILES notation for 2-(undec-10-enoylamino)acetic acid?
The canonical SMILES for 2-(undec-10-enoylamino)acetic acid is C=CCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(undec-10-enoylamino)acetic acid?
The InChIKey is ZROLMAVYZOMHRS-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/h2H,1,3-11H2,(H,14,15)(H,16,17).
What are the key properties of 2-(undec-10-enoylamino)acetic acid?
2-(undec-10-enoylamino)acetic acid has a molecular weight of 241.33 g/mol, XLogP of 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-10-enoylamino)acetic acid is sourced from PubChem (CID 10037355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).