(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid

C6H13NO3 — CID 55302369

IUPAC(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C[C@](C)(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-6(10,5(8)9)4-7(2)3/h10H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyLTWFBWMQSQKKKV-LURJTMIESA-N
MW147.17 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid

(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 55302369) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID55302369
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C[C@](C)(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-6(10,5(8)9)4-7(2)3/h10H,4H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKeyLTWFBWMQSQKKKV-LURJTMIESA-N
XLogP-0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-aminopropyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645222
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79621087
2-hydroxy-2-methylpent-4-ynoic acid
CID 55302741
(2R)-2-hydroxy-2-methyl-4-oxopentanedioic acid
CID 45479582
(2R)-2-hydroxy-2,5,5-trimethyl-4-oxohexanoic acid
CID 97161827
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid (CID 55302369) is (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid is CN(C)C[C@](C)(O)C(=O)O.
What is the InChIKey of (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is LTWFBWMQSQKKKV-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(10,5(8)9)4-7(2)3/h10H,4H2,1-3H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid?
(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 55302369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).