2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid

C6H11NO4 — CID 87311059

IUPAC2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid
SMILESNC(CC=O)(CCO)C(=O)O
InChIInChI=1S/C6H11NO4/c7-6(1-3-8,2-4-9)5(10)11/h3,9H,1-2,4,7H2,(H,10,11)
InChIKeyMNPUYLURKRQNSW-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.26
Rot. Bonds5

About 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid

2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid (PubChem CID 87311059) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid
PubChem CID87311059
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid
SMILESNC(CC=O)(CCO)C(=O)O
InChIInChI=1S/C6H11NO4/c7-6(1-3-8,2-4-9)5(10)11/h3,9H,1-2,4,7H2,(H,10,11)
InChIKeyMNPUYLURKRQNSW-UHFFFAOYSA-N
XLogP-1.26
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid?
The IUPAC name of 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid (CID 87311059) is 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid is NC(CC=O)(CCO)C(=O)O.
What is the InChIKey of 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid?
The InChIKey is MNPUYLURKRQNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-6(1-3-8,2-4-9)5(10)11/h3,9H,1-2,4,7H2,(H,10,11).
What are the key properties of 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid?
2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-hydroxyethyl)-4-oxobutanoic acid is sourced from PubChem (CID 87311059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).