(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid

C11H21NO2 — CID 10799014

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid
SMILESCCCC[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-5-6-7-9(10(13)14)12-8-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-8+/t9-/m0/s1
InChIKeyHJPGQTBQUUEVSB-KWINOFQJSA-N
MW199.29 g/mol
LogP2.75
Rot. Bonds5

About (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid

(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid (PubChem CID 10799014) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid
PubChem CID10799014
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid
SMILESCCCC[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-5-6-7-9(10(13)14)12-8-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-8+/t9-/m0/s1
InChIKeyHJPGQTBQUUEVSB-KWINOFQJSA-N
XLogP2.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

delta1-Piperidine-6-carboxylic acid
CID 165067
(2S)-2,3,4,5-Tetrahydropyridine-2-carboxylic acid
CID 24771808
(2S)-2-amino-6-ethyliminohexanoic acid
CID 44374166
2-(Methylideneamino)hexanoic acid
CID 17922666
(2S)-2-(methylideneamino)hexanoic acid
CID 53997103
2,3,4,5-tetrahydro-2-Pyridinecarboxylic acid hydrochloride
CID 67127599
(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid
CID 10560941
sodium (2S)-2-(2,2-dimethylpropylideneamino)hexanoate
CID 23662421
Vitamin D3 Impurity 8
CID 92143136
2-(Ethylideneamino)-5-methylhexanoic acid
CID 101471058
2-Amino-6-ethyliminohexanoic acid
CID 168324733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid (CID 10799014) is (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid is CCCC[C@H](/N=C/C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid?
The InChIKey is HJPGQTBQUUEVSB-KWINOFQJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-9(10(13)14)12-8-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-8+/t9-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid?
(2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylideneamino)hexanoic acid is sourced from PubChem (CID 10799014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).