5-(ethylideneamino)-4-methylpentanoic acid

C8H15NO2 — CID 90929582

IUPAC5-(ethylideneamino)-4-methylpentanoic acid
SMILESC/C=N/CC(C)CCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-9-6-7(2)4-5-8(10)11/h3,7H,4-6H2,1-2H3,(H,10,11)/b9-3+
InChIKeyZHSCRIAYUDJWST-YCRREMRBSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds5

About 5-(ethylideneamino)-4-methylpentanoic acid

5-(ethylideneamino)-4-methylpentanoic acid (PubChem CID 90929582) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(ethylideneamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(ethylideneamino)-4-methylpentanoic acid
PubChem CID90929582
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-(ethylideneamino)-4-methylpentanoic acid
SMILESC/C=N/CC(C)CCC(=O)O
InChIInChI=1S/C8H15NO2/c1-3-9-6-7(2)4-5-8(10)11/h3,7H,4-6H2,1-2H3,(H,10,11)/b9-3+
InChIKeyZHSCRIAYUDJWST-YCRREMRBSA-N
XLogP1.58
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 5-(ethylideneamino)-4-methylpentanoic acid?
The IUPAC name of 5-(ethylideneamino)-4-methylpentanoic acid (CID 90929582) is 5-(ethylideneamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(ethylideneamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(ethylideneamino)-4-methylpentanoic acid is C/C=N/CC(C)CCC(=O)O.
What is the InChIKey of 5-(ethylideneamino)-4-methylpentanoic acid?
The InChIKey is ZHSCRIAYUDJWST-YCRREMRBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-6-7(2)4-5-8(10)11/h3,7H,4-6H2,1-2H3,(H,10,11)/b9-3+.
What are the key properties of 5-(ethylideneamino)-4-methylpentanoic acid?
5-(ethylideneamino)-4-methylpentanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylideneamino)-4-methylpentanoic acid is sourced from PubChem (CID 90929582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).