3-(dodecanoylamino)propanoic acid;zinc

C15H29NO3Zn — CID 87141829

IUPAC3-(dodecanoylamino)propanoic acid;zinc
SMILESCCCCCCCCCCCC(=O)NCCC(=O)O.[Zn]
InChIInChI=1S/C15H29NO3.Zn/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19;/h2-13H2,1H3,(H,16,17)(H,18,19);
InChIKeySDZHIRPZKXFSBX-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.50
Rot. Bonds13

About 3-(dodecanoylamino)propanoic acid;zinc

3-(dodecanoylamino)propanoic acid;zinc (PubChem CID 87141829) has the molecular formula C15H29NO3Zn and a molecular weight of 336.79 g/mol. Its IUPAC name is 3-(dodecanoylamino)propanoic acid;zinc.

Molecular Properties

Compound Name3-(dodecanoylamino)propanoic acid;zinc
PubChem CID87141829
Molecular FormulaC15H29NO3Zn
Molecular Weight336.79 g/mol
Exact Mass335.14
IUPAC Name3-(dodecanoylamino)propanoic acid;zinc
SMILESCCCCCCCCCCCC(=O)NCCC(=O)O.[Zn]
InChIInChI=1S/C15H29NO3.Zn/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19;/h2-13H2,1H3,(H,16,17)(H,18,19);
InChIKeySDZHIRPZKXFSBX-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
3-[[(9E,11E)-octadeca-9,11-dienoyl]amino]propanoic acid
CID 163200172
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 3-(dodecanoylamino)propanoic acid;zinc?
The IUPAC name of 3-(dodecanoylamino)propanoic acid;zinc (CID 87141829) is 3-(dodecanoylamino)propanoic acid;zinc.
What is the SMILES notation for 3-(dodecanoylamino)propanoic acid;zinc?
The canonical SMILES for 3-(dodecanoylamino)propanoic acid;zinc is CCCCCCCCCCCC(=O)NCCC(=O)O.[Zn].
What is the InChIKey of 3-(dodecanoylamino)propanoic acid;zinc?
The InChIKey is SDZHIRPZKXFSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.Zn/c1-2-3-4-5-6-7-8-9-10-11-14(17)16-13-12-15(18)19;/h2-13H2,1H3,(H,16,17)(H,18,19);.
What are the key properties of 3-(dodecanoylamino)propanoic acid;zinc?
3-(dodecanoylamino)propanoic acid;zinc has a molecular weight of 336.79 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecanoylamino)propanoic acid;zinc is sourced from PubChem (CID 87141829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).