2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid

C6H13NO5 — CID 87824147

IUPAC2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid
SMILESCC(CO)(CO)NC(O)C(=O)O
InChIInChI=1S/C6H13NO5/c1-6(2-8,3-9)7-4(10)5(11)12/h4,7-10H,2-3H2,1H3,(H,11,12)
InChIKeySCUJWLBIHZAYMG-UHFFFAOYSA-N
MW179.17 g/mol
LogP-2.28
Rot. Bonds5

About 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid

2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid (PubChem CID 87824147) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid
PubChem CID87824147
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid
SMILESCC(CO)(CO)NC(O)C(=O)O
InChIInChI=1S/C6H13NO5/c1-6(2-8,3-9)7-4(10)5(11)12/h4,7-10H,2-3H2,1H3,(H,11,12)
InChIKeySCUJWLBIHZAYMG-UHFFFAOYSA-N
XLogP-2.28
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-2.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid?
The IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid (CID 87824147) is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid?
The canonical SMILES for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid is CC(CO)(CO)NC(O)C(=O)O.
What is the InChIKey of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid?
The InChIKey is SCUJWLBIHZAYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5/c1-6(2-8,3-9)7-4(10)5(11)12/h4,7-10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid?
2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid has a molecular weight of 179.17 g/mol, XLogP of -2.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxyacetic acid is sourced from PubChem (CID 87824147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).