2-methyl-2-(methylamino)nonanoic acid

C11H23NO2 — CID 43753674

IUPAC2-methyl-2-(methylamino)nonanoic acid
SMILESCCCCCCCC(C)(NC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-8-9-11(2,12-3)10(13)14/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyVAFFJAPHCLGQAV-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.41
Rot. Bonds8

About 2-methyl-2-(methylamino)nonanoic acid

2-methyl-2-(methylamino)nonanoic acid (PubChem CID 43753674) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)nonanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)nonanoic acid
PubChem CID43753674
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methyl-2-(methylamino)nonanoic acid
SMILESCCCCCCCC(C)(NC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-5-6-7-8-9-11(2,12-3)10(13)14/h12H,4-9H2,1-3H3,(H,13,14)
InChIKeyVAFFJAPHCLGQAV-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)heptanamide
CID 80557436
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
(2R)-2-methyl-2-(3-oxododecanoylamino)decanoic acid
CID 162532296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)nonanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)nonanoic acid (CID 43753674) is 2-methyl-2-(methylamino)nonanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)nonanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)nonanoic acid is CCCCCCCC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)nonanoic acid?
The InChIKey is VAFFJAPHCLGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-7-8-9-11(2,12-3)10(13)14/h12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-(methylamino)nonanoic acid?
2-methyl-2-(methylamino)nonanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)nonanoic acid is sourced from PubChem (CID 43753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).