potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate

C22H40KNO5 — CID 87316584

IUPACpotassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)[O-])NCCCCC.[K+]
InChIInChI=1S/C22H41NO5.K/c1-3-5-7-8-9-10-11-12-13-15-21(26)28-22(27)19(16-17-20(24)25)23-18-14-6-4-2;/h19,23H,3-18H2,1-2H3,(H,24,25);/q;+1/p-1
InChIKeyMFGNJJSSAFBVLG-UHFFFAOYSA-M
MW437.66 g/mol
LogP0.66
Rot. Bonds19

About potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate

potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate (PubChem CID 87316584) has the molecular formula C22H40KNO5 and a molecular weight of 437.66 g/mol. Its IUPAC name is potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate.

Molecular Properties

Compound Namepotassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate
PubChem CID87316584
Molecular FormulaC22H40KNO5
Molecular Weight437.66 g/mol
Exact Mass437.25
IUPAC Namepotassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)[O-])NCCCCC.[K+]
InChIInChI=1S/C22H41NO5.K/c1-3-5-7-8-9-10-11-12-13-15-21(26)28-22(27)19(16-17-20(24)25)23-18-14-6-4-2;/h19,23H,3-18H2,1-2H3,(H,24,25);/q;+1/p-1
InChIKeyMFGNJJSSAFBVLG-UHFFFAOYSA-M
XLogP0.66
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dioctadecanoyl 2-(pentylamino)pentanedioate
CID 87759401
(4S)-5-octadecanoyloxy-5-oxo-4-(pentylamino)pentanoic acid
CID 87316938
potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 90103272
disodium;(2S)-2-(decylamino)pentanedioate
CID 141406009
dipotassium bis((4S)-4-amino-5-hexanoyloxy-5-oxopentanoate)
CID 142746686
sodium (4S)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 53472006
disodium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 140516830
magnesium bis(4-amino-5-hexadecanoyloxy-5-oxopentanoate)
CID 76519147
sodium (4S)-4-amino-5-hexadecanoyloxy-5-oxopentanoate
CID 87091450
sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
CID 57349620
sodium 4-amino-5-icosanoyloxy-5-oxopentanoate
CID 175190767
magnesium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 176590264

Frequently Asked Questions

What is the IUPAC name of potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate?
The IUPAC name of potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate (CID 87316584) is potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate.
What is the SMILES notation for potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate?
The canonical SMILES for potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate is CCCCCCCCCCCC(=O)OC(=O)C(CCC(=O)[O-])NCCCCC.[K+].
What is the InChIKey of potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate?
The InChIKey is MFGNJJSSAFBVLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H41NO5.K/c1-3-5-7-8-9-10-11-12-13-15-21(26)28-22(27)19(16-17-20(24)25)23-18-14-6-4-2;/h19,23H,3-18H2,1-2H3,(H,24,25);/q;+1/p-1.
What are the key properties of potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate?
potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate has a molecular weight of 437.66 g/mol, XLogP of 0.66, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-dodecanoyloxy-5-oxo-4-(pentylamino)pentanoate is sourced from PubChem (CID 87316584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).