4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid

C11H23NO2 — CID 114868050

IUPAC4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
SMILESCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(12-5,10(13)14)7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyPGTZWHKXZKIKQA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.12
Rot. Bonds6

About 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid

4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid (PubChem CID 114868050) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
PubChem CID114868050
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
SMILESCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)6-11(12-5,10(13)14)7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14)
InChIKeyPGTZWHKXZKIKQA-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868053
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-ethyl-2-(methylamino)butanoic acid;uranium(2+)
CID 176948121
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
(2S)-4-methyl-2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 122703475
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2-(3-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868121
2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868131
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid (CID 114868050) is 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid is CNC(CC(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid?
The InChIKey is PGTZWHKXZKIKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-11(12-5,10(13)14)7-9(3)4/h8-9,12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid?
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 114868050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).