2-ethyliminopentyl propanoate;pentanoic acid

C15H29NO4 — CID 175487077

IUPAC2-ethyliminopentyl propanoate;pentanoic acid
SMILESCCC/C(COC(=O)CC)=N\CC.CCCCC(=O)O
InChIInChI=1S/C10H19NO2.C5H10O2/c1-4-7-9(11-6-3)8-13-10(12)5-2;1-2-3-4-5(6)7/h4-8H2,1-3H3;2-4H2,1H3,(H,6,7)/b11-9+;
InChIKeyWMLQSGYGJMZEAK-LBEJWNQZSA-N
MW287.40 g/mol
LogP3.46
Rot. Bonds9

About 2-ethyliminopentyl propanoate;pentanoic acid

2-ethyliminopentyl propanoate;pentanoic acid (PubChem CID 175487077) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-ethyliminopentyl propanoate;pentanoic acid.

Molecular Properties

Compound Name2-ethyliminopentyl propanoate;pentanoic acid
PubChem CID175487077
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2-ethyliminopentyl propanoate;pentanoic acid
SMILESCCC/C(COC(=O)CC)=N\CC.CCCCC(=O)O
InChIInChI=1S/C10H19NO2.C5H10O2/c1-4-7-9(11-6-3)8-13-10(12)5-2;1-2-3-4-5(6)7/h4-8H2,1-3H3;2-4H2,1H3,(H,6,7)/b11-9+;
InChIKeyWMLQSGYGJMZEAK-LBEJWNQZSA-N
XLogP3.46
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyliminopentyl propanoate;pentanoic acid?
The IUPAC name of 2-ethyliminopentyl propanoate;pentanoic acid (CID 175487077) is 2-ethyliminopentyl propanoate;pentanoic acid.
What is the SMILES notation for 2-ethyliminopentyl propanoate;pentanoic acid?
The canonical SMILES for 2-ethyliminopentyl propanoate;pentanoic acid is CCC/C(COC(=O)CC)=N\CC.CCCCC(=O)O.
What is the InChIKey of 2-ethyliminopentyl propanoate;pentanoic acid?
The InChIKey is WMLQSGYGJMZEAK-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H19NO2.C5H10O2/c1-4-7-9(11-6-3)8-13-10(12)5-2;1-2-3-4-5(6)7/h4-8H2,1-3H3;2-4H2,1H3,(H,6,7)/b11-9+;.
What are the key properties of 2-ethyliminopentyl propanoate;pentanoic acid?
2-ethyliminopentyl propanoate;pentanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyliminopentyl propanoate;pentanoic acid is sourced from PubChem (CID 175487077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).