3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid

C8H17NO3 — CID 43538678

IUPAC3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(CNC(C)(C)CO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(7(11)12)4-9-8(2,3)5-10/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyHVRIIPPWKRKGBC-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.07
Rot. Bonds5

About 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid

3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 43538678) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
PubChem CID43538678
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(CNC(C)(C)CO)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(7(11)12)4-9-8(2,3)5-10/h6,9-10H,4-5H2,1-3H3,(H,11,12)
InChIKeyHVRIIPPWKRKGBC-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic 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 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid (CID 43538678) is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid is CC(CNC(C)(C)CO)C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is HVRIIPPWKRKGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(7(11)12)4-9-8(2,3)5-10/h6,9-10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 43538678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).