2-(2-hydroxypropylamino)-2-methylpropanoic acid

C7H15NO3 — CID 19816225

IUPAC2-(2-hydroxypropylamino)-2-methylpropanoic acid
SMILESCC(O)CNC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-8-7(2,3)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyZTIVPBOWRUJPAS-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds4

About 2-(2-hydroxypropylamino)-2-methylpropanoic acid

2-(2-hydroxypropylamino)-2-methylpropanoic acid (PubChem CID 19816225) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)-2-methylpropanoic acid
PubChem CID19816225
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(2-hydroxypropylamino)-2-methylpropanoic acid
SMILESCC(O)CNC(C)(C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(9)4-8-7(2,3)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyZTIVPBOWRUJPAS-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxypropylamino)-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

Related Compounds

2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
CID 61339960
1-(tert-butylamino)propan-2-ol;formic acid
CID 158906125
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675
N-[2-(2-hydroxypropylamino)-2-methylpropyl]-2-phenylacetamide
CID 173411710
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216
2-(3-cyanopropylamino)-2-methylpropanoic acid
CID 65264120
6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
CID 163571102

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2-hydroxypropylamino)-2-methylpropanoic acid (CID 19816225) is 2-(2-hydroxypropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-hydroxypropylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-hydroxypropylamino)-2-methylpropanoic acid is CC(O)CNC(C)(C)C(=O)O.
What is the InChIKey of 2-(2-hydroxypropylamino)-2-methylpropanoic acid?
The InChIKey is ZTIVPBOWRUJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(9)4-8-7(2,3)6(10)11/h5,8-9H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-(2-hydroxypropylamino)-2-methylpropanoic acid?
2-(2-hydroxypropylamino)-2-methylpropanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 19816225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).