3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid

C10H21NO3 — CID 79624482

IUPAC3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(C)(CO)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-5-10(4,7-12)11-6-9(2,3)8(13)14/h11-12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCHCOROGFRKBYQW-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.85
Rot. Bonds6

About 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid

3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 79624482) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID79624482
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
SMILESCCC(C)(CO)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-5-10(4,7-12)11-6-9(2,3)8(13)14/h11-12H,5-7H2,1-4H3,(H,13,14)
InChIKeyCHCOROGFRKBYQW-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
CID 165465852
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2,2-dimethylpropanoic acid
CID 107852533
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
CID 106328180
carbanide;2,2-dimethylbutanoic acid;yttrium
CID 58937622
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylbutanoic acid
CID 175452511
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 114493468
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid (CID 79624482) is 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid is CCC(C)(CO)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is CHCOROGFRKBYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-10(4,7-12)11-6-9(2,3)8(13)14/h11-12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid?
3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79624482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).