2-[bis(2-hydroxyethyl)amino]propanoic acid

C7H15NO4 — CID 11745641

IUPAC2-[bis(2-hydroxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCO)CCO
InChIInChI=1S/C7H15NO4/c1-6(7(11)12)8(2-4-9)3-5-10/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyHPAOINJNCZZVSP-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.25
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]propanoic acid

2-[bis(2-hydroxyethyl)amino]propanoic acid (PubChem CID 11745641) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]propanoic acid
PubChem CID11745641
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-[bis(2-hydroxyethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCO)CCO
InChIInChI=1S/C7H15NO4/c1-6(7(11)12)8(2-4-9)3-5-10/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyHPAOINJNCZZVSP-UHFFFAOYSA-N
XLogP-1.25
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]propanoic acid (CID 11745641) is 2-[bis(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]propanoic acid is CC(C(=O)O)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is HPAOINJNCZZVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-6(7(11)12)8(2-4-9)3-5-10/h6,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]propanoic acid?
2-[bis(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 177.20 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 11745641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).