(E)-12-aminododec-2-enoic acid

C12H23NO2 — CID 88783860

IUPAC(E)-12-aminododec-2-enoic acid
SMILESNCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10H,1-7,9,11,13H2,(H,14,15)/b10-8+
InChIKeyZAIVBSWJDDHIPX-CSKARUKUSA-N
MW213.32 g/mol
LogP2.71
Rot. Bonds10

About (E)-12-aminododec-2-enoic acid

(E)-12-aminododec-2-enoic acid (PubChem CID 88783860) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-12-aminododec-2-enoic acid.

Molecular Properties

Compound Name(E)-12-aminododec-2-enoic acid
PubChem CID88783860
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-12-aminododec-2-enoic acid
SMILESNCCCCCCCCC/C=C/C(=O)O
InChIInChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10H,1-7,9,11,13H2,(H,14,15)/b10-8+
InChIKeyZAIVBSWJDDHIPX-CSKARUKUSA-N
XLogP2.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.71
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
11-Aminoundecenoic acid
CID 21328179
6-Aminohex-2-enoic acid
CID 54314226
12-Aminododec-2-enoic acid
CID 54536804
(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)-12-aminododec-2-enoic acid?
The IUPAC name of (E)-12-aminododec-2-enoic acid (CID 88783860) is (E)-12-aminododec-2-enoic acid.
What is the SMILES notation for (E)-12-aminododec-2-enoic acid?
The canonical SMILES for (E)-12-aminododec-2-enoic acid is NCCCCCCCCC/C=C/C(=O)O.
What is the InChIKey of (E)-12-aminododec-2-enoic acid?
The InChIKey is ZAIVBSWJDDHIPX-CSKARUKUSA-N. The full InChI is InChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10H,1-7,9,11,13H2,(H,14,15)/b10-8+.
What are the key properties of (E)-12-aminododec-2-enoic acid?
(E)-12-aminododec-2-enoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-aminododec-2-enoic acid is sourced from PubChem (CID 88783860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).