potassium;hydride;methyl 3-(dodecanoylamino)propanoate

C16H32KNO3 — CID 174895394

IUPACpotassium;hydride;methyl 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)OC.[H-].[K+]
InChIInChI=1S/C16H31NO3.K.H/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2;;/h3-14H2,1-2H3,(H,17,18);;/q;+1;-1
InChIKeyDFRFPCPSNQZLRR-UHFFFAOYSA-N
MW325.53 g/mol
LogP0.70
Rot. Bonds13

About potassium;hydride;methyl 3-(dodecanoylamino)propanoate

potassium;hydride;methyl 3-(dodecanoylamino)propanoate (PubChem CID 174895394) has the molecular formula C16H32KNO3 and a molecular weight of 325.53 g/mol. Its IUPAC name is potassium;hydride;methyl 3-(dodecanoylamino)propanoate.

Molecular Properties

Compound Namepotassium;hydride;methyl 3-(dodecanoylamino)propanoate
PubChem CID174895394
Molecular FormulaC16H32KNO3
Molecular Weight325.53 g/mol
Exact Mass325.20
IUPAC Namepotassium;hydride;methyl 3-(dodecanoylamino)propanoate
SMILESCCCCCCCCCCCC(=O)NCCC(=O)OC.[H-].[K+]
InChIInChI=1S/C16H31NO3.K.H/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2;;/h3-14H2,1-2H3,(H,17,18);;/q;+1;-1
InChIKeyDFRFPCPSNQZLRR-UHFFFAOYSA-N
XLogP0.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 4-(tridecanoylamino)butanoate
CID 101398455
potassium;hydride;methyl octadecanoate
CID 175153010
methyl 4-(hexylamino)-4-oxobutanoate
CID 108797523
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
dodecyl 3-(octanoylamino)propanoate
CID 91714455
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
methyl 4-(octadec-9-enoylamino)butanoate
CID 154051875
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;methyl 3-(dodecanoylamino)propanoate?
The IUPAC name of potassium;hydride;methyl 3-(dodecanoylamino)propanoate (CID 174895394) is potassium;hydride;methyl 3-(dodecanoylamino)propanoate.
What is the SMILES notation for potassium;hydride;methyl 3-(dodecanoylamino)propanoate?
The canonical SMILES for potassium;hydride;methyl 3-(dodecanoylamino)propanoate is CCCCCCCCCCCC(=O)NCCC(=O)OC.[H-].[K+].
What is the InChIKey of potassium;hydride;methyl 3-(dodecanoylamino)propanoate?
The InChIKey is DFRFPCPSNQZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3.K.H/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14-13-16(19)20-2;;/h3-14H2,1-2H3,(H,17,18);;/q;+1;-1.
What are the key properties of potassium;hydride;methyl 3-(dodecanoylamino)propanoate?
potassium;hydride;methyl 3-(dodecanoylamino)propanoate has a molecular weight of 325.53 g/mol, XLogP of 0.70, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;methyl 3-(dodecanoylamino)propanoate is sourced from PubChem (CID 174895394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).