5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid

C19H37NO5 — CID 4648464

IUPAC5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O
InChIInChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-13-20(14-16-25-17-15-21)18(22)11-10-12-19(23)24/h21H,2-17H2,1H3,(H,23,24)
InChIKeyMWTDJSCEMPTGFJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.22
Rot. Bonds18

About 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid

5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid (PubChem CID 4648464) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
PubChem CID4648464
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Name5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid
SMILESCCCCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O
InChIInChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-13-20(14-16-25-17-15-21)18(22)11-10-12-19(23)24/h21H,2-17H2,1H3,(H,23,24)
InChIKeyMWTDJSCEMPTGFJ-UHFFFAOYSA-N
XLogP3.22
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-4-oxobutanoic acid
CID 3642366
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
4-oxo-4-[2-[2-[tetradecanoyl(tetradecyl)amino]ethoxy]ethoxy]butanoic acid
CID 170390222
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
3-[2-[3-(2-hydroxyethoxy)propyl-octadecylamino]ethoxy]propanoic acid
CID 91166043
1-decyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,3-dimethylurea
CID 3648902
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N-di(undecyl)pentanamide
CID 532896

Frequently Asked Questions

What is the IUPAC name of 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid (CID 4648464) is 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid is CCCCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is MWTDJSCEMPTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-13-20(14-16-25-17-15-21)18(22)11-10-12-19(23)24/h21H,2-17H2,1H3,(H,23,24).
What are the key properties of 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid?
5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 359.51 g/mol, XLogP of 3.22, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[decyl-[2-(2-hydroxyethoxy)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 4648464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).