2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid

C15H27NO10 — CID 171541687

IUPAC2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
SMILESO=CCCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H27NO10/c17-3-1-4-23-6-8-25-10-11-26-9-7-24-5-2-16-14(20)12(18)13(19)15(21)22/h3,12-13,18-19H,1-2,4-11H2,(H,16,20)(H,21,22)
InChIKeySWKASIRQANMJDD-UHFFFAOYSA-N
MW381.38 g/mol
LogP-2.44
Rot. Bonds18

About 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid

2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid (PubChem CID 171541687) has the molecular formula C15H27NO10 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
PubChem CID171541687
Molecular FormulaC15H27NO10
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC Name2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid
SMILESO=CCCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H27NO10/c17-3-1-4-23-6-8-25-10-11-26-9-7-24-5-2-16-14(20)12(18)13(19)15(21)22/h3,12-13,18-19H,1-2,4-11H2,(H,16,20)(H,21,22)
InChIKeySWKASIRQANMJDD-UHFFFAOYSA-N
XLogP-2.44
TPSA160.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid;propane
CID 171541655
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
(2R,3R)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2,3-dihydroxy-4-oxopentanamide
CID 163855261
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid?
The IUPAC name of 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid (CID 171541687) is 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid?
The canonical SMILES for 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid is O=CCCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid?
The InChIKey is SWKASIRQANMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO10/c17-3-1-4-23-6-8-25-10-11-26-9-7-24-5-2-16-14(20)12(18)13(19)15(21)22/h3,12-13,18-19H,1-2,4-11H2,(H,16,20)(H,21,22).
What are the key properties of 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid?
2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid has a molecular weight of 381.38 g/mol, XLogP of -2.44, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-oxo-4-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]butanoic acid is sourced from PubChem (CID 171541687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).