2,2,3,3-tetramethyl-4-methyliminopentanoic acid

C10H19NO2 — CID 54297920

IUPAC2,2,3,3-tetramethyl-4-methyliminopentanoic acid
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(11-6)9(2,3)10(4,5)8(12)13/h1-6H3,(H,12,13)/b11-7+
InChIKeySCBUMLNXVNSAJC-YRNVUSSQSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds3

About 2,2,3,3-tetramethyl-4-methyliminopentanoic acid

2,2,3,3-tetramethyl-4-methyliminopentanoic acid (PubChem CID 54297920) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-4-methyliminopentanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-4-methyliminopentanoic acid
PubChem CID54297920
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2,3,3-tetramethyl-4-methyliminopentanoic acid
SMILESC/N=C(\C)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(11-6)9(2,3)10(4,5)8(12)13/h1-6H3,(H,12,13)/b11-7+
InChIKeySCBUMLNXVNSAJC-YRNVUSSQSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.21
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

2-(N-butyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175620
3-Butylimino-2-ethylpentanoic acid
CID 57031173
2-Methyl-3-methyliminopentanoic acid
CID 57232250
3-Butylimino-2-methylpentanoic acid
CID 57245045
3-(C,N-dimethylcarbonimidoyl)-4-methyliminopentanoic acid
CID 90820100
2,3-Dimethyl-4-methyliminohexanoic acid
CID 90897812
3-Tert-butylimino-2-methylpentanoic acid
CID 91075062
2-Methyl-3-(2-methylpropylimino)pentanoic acid
CID 91329202
(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid
CID 144957442
(2S,3S)-3-ethyl-4-methylimino-2-propylpentanoic acid
CID 144957661
[3-(Carboxymethyl)-4,4-dimethylpentylidene]-methylideneazanium
CID 163876059

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-4-methyliminopentanoic acid?
The IUPAC name of 2,2,3,3-tetramethyl-4-methyliminopentanoic acid (CID 54297920) is 2,2,3,3-tetramethyl-4-methyliminopentanoic acid.
What is the SMILES notation for 2,2,3,3-tetramethyl-4-methyliminopentanoic acid?
The canonical SMILES for 2,2,3,3-tetramethyl-4-methyliminopentanoic acid is C/N=C(\C)C(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3,3-tetramethyl-4-methyliminopentanoic acid?
The InChIKey is SCBUMLNXVNSAJC-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(11-6)9(2,3)10(4,5)8(12)13/h1-6H3,(H,12,13)/b11-7+.
What are the key properties of 2,2,3,3-tetramethyl-4-methyliminopentanoic acid?
2,2,3,3-tetramethyl-4-methyliminopentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-4-methyliminopentanoic acid is sourced from PubChem (CID 54297920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).