2-(dodec-2-enoylamino)acetic acid

C14H25NO3 — CID 75296754

IUPAC2-(dodec-2-enoylamino)acetic acid
SMILESCCCCCCCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h10-11H,2-9,12H2,1H3,(H,15,16)(H,17,18)
InChIKeyHCMNXDPFLRMHGS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.88
Rot. Bonds11

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

2-(dodec-2-enoylamino)acetic acid (PubChem CID 75296754) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(dodec-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(dodec-2-enoylamino)acetic acid
PubChem CID75296754
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(dodec-2-enoylamino)acetic acid
SMILESCCCCCCCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h10-11H,2-9,12H2,1H3,(H,15,16)(H,17,18)
InChIKeyHCMNXDPFLRMHGS-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.88
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

2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-butyldec-2-enamide
CID 160628271
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
N-(2-methylbutyl)dodec-2-enamide
CID 163098446
undec-2-enoic acid
CID 519180
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
bis(heptadec-2-enoic acid);zinc
CID 172555643

Frequently Asked Questions

What is the IUPAC name of 2-(dodec-2-enoylamino)acetic acid?
The IUPAC name of 2-(dodec-2-enoylamino)acetic acid (CID 75296754) is 2-(dodec-2-enoylamino)acetic acid.
What is the SMILES notation for 2-(dodec-2-enoylamino)acetic acid?
The canonical SMILES for 2-(dodec-2-enoylamino)acetic acid is CCCCCCCCCC=CC(=O)NCC(=O)O.
What is the InChIKey of 2-(dodec-2-enoylamino)acetic acid?
The InChIKey is HCMNXDPFLRMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h10-11H,2-9,12H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(dodec-2-enoylamino)acetic acid?
2-(dodec-2-enoylamino)acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodec-2-enoylamino)acetic acid is sourced from PubChem (CID 75296754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).