hexanedioic acid;1-(1-hydroxyethylamino)ethanol

C10H21NO6 — CID 87300417

IUPAChexanedioic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H11NO2/c7-5(8)3-1-2-4-6(9)10;1-3(6)5-4(2)7/h1-4H2,(H,7,8)(H,9,10);3-7H,1-2H3
InChIKeyHRBDRRLKTNPFJE-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.03
Rot. Bonds7

About hexanedioic acid;1-(1-hydroxyethylamino)ethanol

hexanedioic acid;1-(1-hydroxyethylamino)ethanol (PubChem CID 87300417) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is hexanedioic acid;1-(1-hydroxyethylamino)ethanol.

Molecular Properties

Compound Namehexanedioic acid;1-(1-hydroxyethylamino)ethanol
PubChem CID87300417
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Namehexanedioic acid;1-(1-hydroxyethylamino)ethanol
SMILESCC(O)NC(C)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C4H11NO2/c7-5(8)3-1-2-4-6(9)10;1-3(6)5-4(2)7/h1-4H2,(H,7,8)(H,9,10);3-7H,1-2H3
InChIKeyHRBDRRLKTNPFJE-UHFFFAOYSA-N
XLogP-0.03
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane-1,1-diol;hexanedioic acid
CID 160553867
heptanedioic acid;1-(methylamino)ethanol
CID 174510422
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
CID 173051150
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
20-(1-hydroxyethylamino)-20-oxoicosanoic acid
CID 137417852
hexanoic acid;1-(methylamino)ethanol
CID 173051508
hexanedioic acid;hexane-2,5-diol
CID 160536258
bis(hexanedioic acid);propane-1,1-diol
CID 157289592
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;1-(1-hydroxyethylamino)ethanol?
The IUPAC name of hexanedioic acid;1-(1-hydroxyethylamino)ethanol (CID 87300417) is hexanedioic acid;1-(1-hydroxyethylamino)ethanol.
What is the SMILES notation for hexanedioic acid;1-(1-hydroxyethylamino)ethanol?
The canonical SMILES for hexanedioic acid;1-(1-hydroxyethylamino)ethanol is CC(O)NC(C)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of hexanedioic acid;1-(1-hydroxyethylamino)ethanol?
The InChIKey is HRBDRRLKTNPFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H11NO2/c7-5(8)3-1-2-4-6(9)10;1-3(6)5-4(2)7/h1-4H2,(H,7,8)(H,9,10);3-7H,1-2H3.
What are the key properties of hexanedioic acid;1-(1-hydroxyethylamino)ethanol?
hexanedioic acid;1-(1-hydroxyethylamino)ethanol has a molecular weight of 251.28 g/mol, XLogP of -0.03, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;1-(1-hydroxyethylamino)ethanol is sourced from PubChem (CID 87300417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).