2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid

C12H25NO10 — CID 173031633

IUPAC2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
SMILESCCCCN(OCCO)OCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C8H19NO4.C4H6O6/c1-2-3-4-9(12-7-5-10)13-8-6-11;5-1(3(7)8)2(6)4(9)10/h10-11H,2-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeySATKRUGVVHYVTC-UHFFFAOYSA-N
MW343.33 g/mol
LogP-2.19
Rot. Bonds12

About 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid

2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid (PubChem CID 173031633) has the molecular formula C12H25NO10 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
PubChem CID173031633
Molecular FormulaC12H25NO10
Molecular Weight343.33 g/mol
Exact Mass343.15
IUPAC Name2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid
SMILESCCCCN(OCCO)OCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C8H19NO4.C4H6O6/c1-2-3-4-9(12-7-5-10)13-8-6-11;5-1(3(7)8)2(6)4(9)10/h10-11H,2-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeySATKRUGVVHYVTC-UHFFFAOYSA-N
XLogP-2.19
TPSA177.22 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.33
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(2-hydroxyethoxy)amino]oxyethanol;decanoic acid
CID 173031616
tris(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);undecanedioic acid;undecanoic acid
CID 173155044
2-[2-hydroxyethoxy(nonadecyl)amino]oxyethanol
CID 87327457
2-[heptadecyl(2-hydroxyethoxy)amino]oxyethanol;octadecanoic acid
CID 174704040
2-[2-hydroxyethoxy(pentadecyl)amino]oxyethanol;octadecanoic acid
CID 90146048
butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162268367
4-[butyl(4-hydroxybutoxy)amino]oxybutan-1-ol
CID 87183048
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170
acetic acid;butanoic acid;hexakis(2-[butyl(2-hydroxyethoxy)amino]oxyethanol);formic acid;propanedioic acid;propanoic acid
CID 173154943
3-amino-3-heptadecylpentane-1,5-diol;2-[butyl(2-hydroxyethoxy)amino]oxyethanol
CID 174172810
N,N-didecoxybutan-1-amine
CID 57054979
2-[3-chloropropyl(2-hydroxyethoxy)amino]oxyethanol
CID 87919483

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid?
The IUPAC name of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid (CID 173031633) is 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid is CCCCN(OCCO)OCCO.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid?
The InChIKey is SATKRUGVVHYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4.C4H6O6/c1-2-3-4-9(12-7-5-10)13-8-6-11;5-1(3(7)8)2(6)4(9)10/h10-11H,2-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid?
2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid has a molecular weight of 343.33 g/mol, XLogP of -2.19, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethoxy)amino]oxyethanol;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 173031633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).