3-[hydroxy(2-hydroxyethyl)amino]propanoic acid

C5H11NO4 — CID 19961419

IUPAC3-[hydroxy(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(O)CCO
InChIInChI=1S/C5H11NO4/c7-4-3-6(10)2-1-5(8)9/h7,10H,1-4H2,(H,8,9)
InChIKeySMUCFTBNIALTHB-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.86
Rot. Bonds5

About 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid

3-[hydroxy(2-hydroxyethyl)amino]propanoic acid (PubChem CID 19961419) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hydroxy(2-hydroxyethyl)amino]propanoic acid
PubChem CID19961419
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name3-[hydroxy(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(O)CCO
InChIInChI=1S/C5H11NO4/c7-4-3-6(10)2-1-5(8)9/h7,10H,1-4H2,(H,8,9)
InChIKeySMUCFTBNIALTHB-UHFFFAOYSA-N
XLogP-0.86
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid (CID 19961419) is 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid is O=C(O)CCN(O)CCO.
What is the InChIKey of 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is SMUCFTBNIALTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-4-3-6(10)2-1-5(8)9/h7,10H,1-4H2,(H,8,9).
What are the key properties of 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid?
3-[hydroxy(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 149.15 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 19961419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).