3-[hydroxy(propyl)amino]propanoic acid

C6H13NO3 — CID 20776666

IUPAC3-[hydroxy(propyl)amino]propanoic acid
SMILESCCCN(O)CCC(=O)O
InChIInChI=1S/C6H13NO3/c1-2-4-7(10)5-3-6(8)9/h10H,2-5H2,1H3,(H,8,9)
InChIKeyUAXRBXFMBMJLJM-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.56
Rot. Bonds5

About 3-[hydroxy(propyl)amino]propanoic acid

3-[hydroxy(propyl)amino]propanoic acid (PubChem CID 20776666) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-[hydroxy(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[hydroxy(propyl)amino]propanoic acid
PubChem CID20776666
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-[hydroxy(propyl)amino]propanoic acid
SMILESCCCN(O)CCC(=O)O
InChIInChI=1S/C6H13NO3/c1-2-4-7(10)5-3-6(8)9/h10H,2-5H2,1H3,(H,8,9)
InChIKeyUAXRBXFMBMJLJM-UHFFFAOYSA-N
XLogP0.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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(propyl)amino]propanoic acid?
The IUPAC name of 3-[hydroxy(propyl)amino]propanoic acid (CID 20776666) is 3-[hydroxy(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[hydroxy(propyl)amino]propanoic acid?
The canonical SMILES for 3-[hydroxy(propyl)amino]propanoic acid is CCCN(O)CCC(=O)O.
What is the InChIKey of 3-[hydroxy(propyl)amino]propanoic acid?
The InChIKey is UAXRBXFMBMJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-4-7(10)5-3-6(8)9/h10H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-[hydroxy(propyl)amino]propanoic acid?
3-[hydroxy(propyl)amino]propanoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(propyl)amino]propanoic acid is sourced from PubChem (CID 20776666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).