(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid

C10H19NO2 — CID 144957442

IUPAC(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid
SMILESC/N=C(\C)CC(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)6-8(3)11-4/h7,9H,5-6H2,1-4H3,(H,12,13)/b11-8+
InChIKeyQFBVBFKJAMMQGU-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds5

About (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid

(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid (PubChem CID 144957442) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid
PubChem CID144957442
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid
SMILESC/N=C(\C)CC(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)6-8(3)11-4/h7,9H,5-6H2,1-4H3,(H,12,13)/b11-8+
InChIKeyQFBVBFKJAMMQGU-DHZHZOJOSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-Isobutyliminocyclohexanecarboxylic acid
CID 129811907
2-(C-methyl-N-pentylcarbonimidoyl)pentanoic acid
CID 23175551
2-(N-hexyl-C-methylcarbonimidoyl)heptanoic acid
CID 23175553
2-(N-cyclohexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175557
2-(C-methyl-N-pentylcarbonimidoyl)heptanoic acid
CID 23175567
2-(N-butyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175577
2-(N-butyl-C-methylcarbonimidoyl)heptanoic acid
CID 23175581
2-(N-hexyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175591
2-(N-hexyl-C-methylcarbonimidoyl)hexanoic acid
CID 23175593
2-(C-methyl-N-pentylcarbonimidoyl)hexanoic acid
CID 23175605
2-(N-butyl-C-methylcarbonimidoyl)pentanoic acid
CID 23175620
2,2,3,3-Tetramethyl-4-methyliminopentanoic acid
CID 54297920

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid (CID 144957442) is (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid is C/N=C(\C)CC(CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid?
The InChIKey is QFBVBFKJAMMQGU-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-9(10(12)13)6-8(3)11-4/h7,9H,5-6H2,1-4H3,(H,12,13)/b11-8+.
What are the key properties of (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid?
(2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-methyliminopropyl)pentanoic acid is sourced from PubChem (CID 144957442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).