2-acetamido-2-hydroxyacetic acid

C4H7NO4 — CID 14212846

IUPAC2-acetamido-2-hydroxyacetic acid
SMILESCC(=O)NC(O)C(=O)O
InChIInChI=1S/C4H7NO4/c1-2(6)5-3(7)4(8)9/h3,7H,1H3,(H,5,6)(H,8,9)
InChIKeyKMSVANWURMHBAC-UHFFFAOYSA-N
MW133.10 g/mol
LogP-1.47
Rot. Bonds2

About 2-acetamido-2-hydroxyacetic acid

2-acetamido-2-hydroxyacetic acid (PubChem CID 14212846) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 2-acetamido-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-acetamido-2-hydroxyacetic acid
PubChem CID14212846
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name2-acetamido-2-hydroxyacetic acid
SMILESCC(=O)NC(O)C(=O)O
InChIInChI=1S/C4H7NO4/c1-2(6)5-3(7)4(8)9/h3,7H,1H3,(H,5,6)(H,8,9)
InChIKeyKMSVANWURMHBAC-UHFFFAOYSA-N
XLogP-1.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-hydroxyacetic acid?
The IUPAC name of 2-acetamido-2-hydroxyacetic acid (CID 14212846) is 2-acetamido-2-hydroxyacetic acid.
What is the SMILES notation for 2-acetamido-2-hydroxyacetic acid?
The canonical SMILES for 2-acetamido-2-hydroxyacetic acid is CC(=O)NC(O)C(=O)O.
What is the InChIKey of 2-acetamido-2-hydroxyacetic acid?
The InChIKey is KMSVANWURMHBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-2(6)5-3(7)4(8)9/h3,7H,1H3,(H,5,6)(H,8,9).
What are the key properties of 2-acetamido-2-hydroxyacetic acid?
2-acetamido-2-hydroxyacetic acid has a molecular weight of 133.10 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-hydroxyacetic acid is sourced from PubChem (CID 14212846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).