2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid

C9H19NO3 — CID 106185087

IUPAC2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid
SMILESCC(NC(C)(C)C(C)(C)O)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(7(11)12)10-8(2,3)9(4,5)13/h6,10,13H,1-5H3,(H,11,12)
InChIKeyOUTDHNIUXZLEHW-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.60
Rot. Bonds4

About 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid (PubChem CID 106185087) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid
PubChem CID106185087
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid
SMILESCC(NC(C)(C)C(C)(C)O)C(=O)O
InChIInChI=1S/C9H19NO3/c1-6(7(11)12)10-8(2,3)9(4,5)13/h6,10,13H,1-5H3,(H,11,12)
InChIKeyOUTDHNIUXZLEHW-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-(propylamino)butanoic acid
CID 16769213
3-Methyl-2-(propylamino)butanoic acid hydrochloride
CID 42935486
2-[(2-Methylbutan-2-yl)amino]propanoic acid hydrochloride
CID 75480651
t-Butyl valine
CID 12837673
2-(Tert-butylamino)propanoic acid
CID 14747224
(S)-2-(tert-Butylamino)propanoic acid
CID 14747225
2-Ethyl-2-ethylamino-butyric acid
CID 43753865
2-Methyl-2-propylamino-propionic acid
CID 43754000
Acetylmethylvaline
CID 54184778
2-(Ethylamino)-3,3-dimethylbutanoic acid
CID 61326414
2-Ethylbutyl-l-alanine
CID 83193379
Diisopropyl iminodiacetic acid
CID 85540019

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid (CID 106185087) is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid is CC(NC(C)(C)C(C)(C)O)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid?
The InChIKey is OUTDHNIUXZLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(7(11)12)10-8(2,3)9(4,5)13/h6,10,13H,1-5H3,(H,11,12).
What are the key properties of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid?
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 106185087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).