3-(2-hydroxyethylamino)-2-methylpropanoic acid

C6H13NO3 — CID 11286551

IUPAC3-(2-hydroxyethylamino)-2-methylpropanoic acid
SMILESCC(CNCCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-5(6(9)10)4-7-2-3-8/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyACOBPLOZOVCHQM-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.71
Rot. Bonds5

About 3-(2-hydroxyethylamino)-2-methylpropanoic acid

3-(2-hydroxyethylamino)-2-methylpropanoic acid (PubChem CID 11286551) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-2-methylpropanoic acid
PubChem CID11286551
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-(2-hydroxyethylamino)-2-methylpropanoic acid
SMILESCC(CNCCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-5(6(9)10)4-7-2-3-8/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyACOBPLOZOVCHQM-UHFFFAOYSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxyethylamino)-2-methylpropanoic acid (CID 11286551) is 3-(2-hydroxyethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxyethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxyethylamino)-2-methylpropanoic acid is CC(CNCCO)C(=O)O.
What is the InChIKey of 3-(2-hydroxyethylamino)-2-methylpropanoic acid?
The InChIKey is ACOBPLOZOVCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(6(9)10)4-7-2-3-8/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(2-hydroxyethylamino)-2-methylpropanoic acid?
3-(2-hydroxyethylamino)-2-methylpropanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 11286551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).