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

C8H15NO4 — CID 114897796

IUPAC3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H15NO4/c1-5(7(12)13)6(11)9-8(2,3)4-10/h5,10H,4H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyKRRQNICYXVUUKM-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.41
Rot. Bonds4

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

3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid (PubChem CID 114897796) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
PubChem CID114897796
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H15NO4/c1-5(7(12)13)6(11)9-8(2,3)4-10/h5,10H,4H2,1-3H3,(H,9,11)(H,12,13)
InChIKeyKRRQNICYXVUUKM-UHFFFAOYSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-Hydroxy-2,2-dimethylpropanoyl)amino]-2-methylpropanoic acid
CID 45122287
3-(Tert-butylamino)-2-methyl-3-oxopropanoic acid
CID 83529620
3-(Tert-butylamino)-2-methyl-3-oxopropanoic acid;ethanol;titanium
CID 87139519
2-Acetamido-2-(hydroxymethyl)propanedioic acid
CID 44720603
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]-3-oxopropanoic acid
CID 62230944
3-[(1-Methoxy-2-methyl-1-oxopropan-2-yl)amino]-3-oxopropanoic acid
CID 62231316
3-[3-(Hydroxymethyl)pentan-3-ylamino]-3-oxopropanoic acid
CID 62522150
2-(3-Methoxypropanoylamino)-2-methylpropanoic acid
CID 62590399
3-[(1-Hydroxy-2-methylbutan-2-yl)amino]-3-oxopropanoic acid
CID 64549112
N-(Carboxyacetyl)-2-methylalanine
CID 71329163
3-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]-3-oxopropanoic acid
CID 81965563
3-[[1-Hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-3-oxopropanoic acid
CID 104889374

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid (CID 114897796) is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)NC(C)(C)CO.
What is the InChIKey of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is KRRQNICYXVUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(7(12)13)6(11)9-8(2,3)4-10/h5,10H,4H2,1-3H3,(H,9,11)(H,12,13).
What are the key properties of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid?
3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.41, 4 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-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).