1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid

C11H25NO5 — CID 173189081

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCC(=O)O
InChIInChI=1S/C6H15NO3.C5H10O2/c1-4(8)7(5(2)9)6(3)10;1-2-3-4-5(6)7/h4-6,8-10H,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyYNSKIRPDEDTWHR-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.56
Rot. Bonds6

About 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid

1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid (PubChem CID 173189081) has the molecular formula C11H25NO5 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid
PubChem CID173189081
Molecular FormulaC11H25NO5
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCC(=O)O
InChIInChI=1S/C6H15NO3.C5H10O2/c1-4(8)7(5(2)9)6(3)10;1-2-3-4-5(6)7/h4-6,8-10H,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyYNSKIRPDEDTWHR-UHFFFAOYSA-N
XLogP0.56
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
CID 87531971
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
1-[bis(1-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoic acid
CID 87844912
decanoic acid;1-(dimethylamino)ethanol
CID 173031587
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
hexanoic acid;1-(methylamino)ethanol
CID 173051508
icosane;pentanoic acid
CID 159151393
acetic acid;pentanoic acid
CID 87061456

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid (CID 173189081) is 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid is CC(O)N(C(C)O)C(C)O.CCCCC(=O)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid?
The InChIKey is YNSKIRPDEDTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C5H10O2/c1-4(8)7(5(2)9)6(3)10;1-2-3-4-5(6)7/h4-6,8-10H,1-3H3;2-4H2,1H3,(H,6,7).
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid?
1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid has a molecular weight of 251.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;pentanoic acid is sourced from PubChem (CID 173189081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).