3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid

C10H21NO3 — CID 79621087

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
SMILESCN(CC(C)(C)O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2,8(12)13)6-11(5)7-10(3,4)14/h14H,6-7H2,1-5H3,(H,12,13)
InChIKeyWJQXAKSURKLQEQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.80
Rot. Bonds5

About 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid

3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid (PubChem CID 79621087) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
PubChem CID79621087
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
SMILESCN(CC(C)(C)O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2,8(12)13)6-11(5)7-10(3,4)14/h14H,6-7H2,1-5H3,(H,12,13)
InChIKeyWJQXAKSURKLQEQ-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropan-1-ol
CID 79379784
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
5-hydroxy-2,2,5-trimethylhexanoic acid
CID 79425449
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
CID 79379227
3-[bis(2-hydroxyethyl)amino]-2,2-dimethylpropanoic acid
CID 22902542
(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid
CID 55302369

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid (CID 79621087) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid is CN(CC(C)(C)O)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid?
The InChIKey is WJQXAKSURKLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,8(12)13)6-11(5)7-10(3,4)14/h14H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid?
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).