(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid

C8H17NO2 — CID 11768849

IUPAC(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(2)7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyOQJJVXKMPUJFJK-BQBZGAKWSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds4

About (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid

(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid (PubChem CID 11768849) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid
PubChem CID11768849
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-5-6(2)7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyOQJJVXKMPUJFJK-BQBZGAKWSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
3-Methyl-2-(methylamino)pentanoic acid
CID 560437
N,N-Dimethyl-L-Valine
CID 11008044
N-Methyl-L-isoleucine
CID 5288628
N-alpha-t-Butyloxycarbonyl-N-alpha-methyl-L-isoleucine
CID 7017970
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid
CID 14252411
Norvaline betaine
CID 21226614
2-(((Tert-butoxy)carbonyl)(methyl)amino)-3-methylpentanoic acid
CID 3348571
2-(Dimethylamino)pentanoic acid
CID 17883462
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588
(2R)-2-(dimethylamino)-3-methylbutanoic acid
CID 40493914
(2S)-2-cyclopropyl-2-(dimethylamino)acetic acid
CID 53685599

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid (CID 11768849) is (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid is CC[C@H](C)[C@@H](C(=O)O)N(C)C.
What is the InChIKey of (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid?
The InChIKey is OQJJVXKMPUJFJK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6(2)7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid?
(2S,3S)-2-(dimethylamino)-3-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(dimethylamino)-3-methylpentanoic acid is sourced from PubChem (CID 11768849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).