(E)-11-aminoundec-2-enoic acid

C11H21NO2 — CID 21328179

IUPAC(E)-11-aminoundec-2-enoic acid
SMILESNCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C11H21NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9H,1-6,8,10,12H2,(H,13,14)/b9-7+
InChIKeyWXCUXGSUPPZGLR-VQHVLOKHSA-N
MW199.29 g/mol
LogP2.32
Rot. Bonds9

About (E)-11-aminoundec-2-enoic acid

(E)-11-aminoundec-2-enoic acid (PubChem CID 21328179) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-11-aminoundec-2-enoic acid.

Molecular Properties

Compound Name(E)-11-aminoundec-2-enoic acid
PubChem CID21328179
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-11-aminoundec-2-enoic acid
SMILESNCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C11H21NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9H,1-6,8,10,12H2,(H,13,14)/b9-7+
InChIKeyWXCUXGSUPPZGLR-VQHVLOKHSA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.32
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

(Z)-octadec-9-en-1-amine;prop-2-enoic acid
CID 44150752
6-Aminohex-2-enoic acid
CID 54314226
12-Aminododeceneoic acid
CID 54536804
12-Aminododecenoic acid
CID 88783860
(Z)-9-amino-2-fluoronon-2-enoic acid
CID 25028653
(Z)-10-amino-2-fluorodec-2-enoic acid
CID 25028655
(Z)-14-amino-2-fluorotetradec-2-enoic acid
CID 25028657
(E,9R)-9,10-diaminodec-2-enoic acid;2,2,2-trifluoroacetic acid
CID 46865617
[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
CID 59498633
[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium
CID 59498634
[(Z)-9-carboxy-9-fluoronon-8-enyl]azanium
CID 59498640
14-Amino-2-fluorotetradec-2-enoic acid
CID 72308183

Frequently Asked Questions

What is the IUPAC name of (E)-11-aminoundec-2-enoic acid?
The IUPAC name of (E)-11-aminoundec-2-enoic acid (CID 21328179) is (E)-11-aminoundec-2-enoic acid.
What is the SMILES notation for (E)-11-aminoundec-2-enoic acid?
The canonical SMILES for (E)-11-aminoundec-2-enoic acid is NCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-11-aminoundec-2-enoic acid?
The InChIKey is WXCUXGSUPPZGLR-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h7,9H,1-6,8,10,12H2,(H,13,14)/b9-7+.
What are the key properties of (E)-11-aminoundec-2-enoic acid?
(E)-11-aminoundec-2-enoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-aminoundec-2-enoic acid is sourced from PubChem (CID 21328179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).