2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid

C8H17NO3 — CID 114494765

IUPAC2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
SMILESCC(C)C(C)(O)CNCC(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)8(3,12)5-9-4-7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyJNDRSUXWTJPJMK-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.07
Rot. Bonds5

About 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid

2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid (PubChem CID 114494765) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
PubChem CID114494765
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
SMILESCC(C)C(C)(O)CNCC(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)8(3,12)5-9-4-7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyJNDRSUXWTJPJMK-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 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic 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-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
1-(2-bromoprop-2-enylamino)-2,3-dimethylbutan-2-ol
CID 114493615
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
2-(2,2,4,4-tetramethylpentylamino)acetic acid
CID 155323369
1-[[1-(hydroxymethyl)cyclobutyl]amino]-2,3-dimethylbutan-2-ol
CID 114493748
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
2-(carboxymethylamino)acetic acid
CID 8897
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid (CID 114494765) is 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid is CC(C)C(C)(O)CNCC(=O)O.
What is the InChIKey of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
The InChIKey is JNDRSUXWTJPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)8(3,12)5-9-4-7(10)11/h6,9,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid?
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic 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 2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid is sourced from PubChem (CID 114494765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).