2-(ethylideneamino)-4-methylpentanoic acid

C8H15NO2 — CID 87797050

IUPAC2-(ethylideneamino)-4-methylpentanoic acid
SMILESC/C=N/C(CC(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-9-7(8(10)11)5-6(2)3/h4,6-7H,5H2,1-3H3,(H,10,11)/b9-4+
InChIKeyYDJDEHVDBGMVIR-RUDMXATFSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds4

About 2-(ethylideneamino)-4-methylpentanoic acid

2-(ethylideneamino)-4-methylpentanoic acid (PubChem CID 87797050) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(ethylideneamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylideneamino)-4-methylpentanoic acid
PubChem CID87797050
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(ethylideneamino)-4-methylpentanoic acid
SMILESC/C=N/C(CC(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-9-7(8(10)11)5-6(2)3/h4,6-7H,5H2,1-3H3,(H,10,11)/b9-4+
InChIKeyYDJDEHVDBGMVIR-RUDMXATFSA-N
XLogP1.58
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-4-methylpentanoic acid?
The IUPAC name of 2-(ethylideneamino)-4-methylpentanoic acid (CID 87797050) is 2-(ethylideneamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(ethylideneamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(ethylideneamino)-4-methylpentanoic acid is C/C=N/C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(ethylideneamino)-4-methylpentanoic acid?
The InChIKey is YDJDEHVDBGMVIR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-7(8(10)11)5-6(2)3/h4,6-7H,5H2,1-3H3,(H,10,11)/b9-4+.
What are the key properties of 2-(ethylideneamino)-4-methylpentanoic acid?
2-(ethylideneamino)-4-methylpentanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-4-methylpentanoic acid is sourced from PubChem (CID 87797050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).