4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid

C11H23NO2 — CID 116959763

IUPAC4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
SMILESCNC(C(C(=O)O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-7(2)8(10(13)14)9(12-6)11(3,4)5/h7-9,12H,1-6H3,(H,13,14)
InChIKeyIQMLDWAHJZJCHE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.98
Rot. Bonds4

About 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid

4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid (PubChem CID 116959763) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
PubChem CID116959763
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
SMILESCNC(C(C(=O)O)C(C)C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-7(2)8(10(13)14)9(12-6)11(3,4)5/h7-9,12H,1-6H3,(H,13,14)
InChIKeyIQMLDWAHJZJCHE-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
2,2,4-trimethyl-3-(methylamino)pentanoic acid
CID 116953180
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
3,3-dimethyl-2-(methylamino)butanoic acid;ethane
CID 143824756
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
3-methoxycarbonyl-4-methyl-2-propan-2-ylpentanoic acid
CID 118404303
(2S)-4-methoxy-3-methoxycarbonyl-4-oxo-2-propan-2-ylbutanoic acid
CID 87816169
(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
CID 15275461
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
4-methoxy-N,2,2-trimethylpentan-3-amine
CID 79617050

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid?
The IUPAC name of 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid (CID 116959763) is 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid is CNC(C(C(=O)O)C(C)C)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid?
The InChIKey is IQMLDWAHJZJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7(2)8(10(13)14)9(12-6)11(3,4)5/h7-9,12H,1-6H3,(H,13,14).
What are the key properties of 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid?
4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 116959763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).