2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid

C15H27NO4 — CID 43235027

IUPAC2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCOCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-2-20-10-6-9-16-13(17)11-15(12-14(18)19)7-4-3-5-8-15/h2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyLQRMEXPTIJDXFO-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds9

About 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235027) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235027
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCOCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-2-20-10-6-9-16-13(17)11-15(12-14(18)19)7-4-3-5-8-15/h2-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyLQRMEXPTIJDXFO-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235027) is 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid is CCOCCCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is LQRMEXPTIJDXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-20-10-6-9-16-13(17)11-15(12-14(18)19)7-4-3-5-8-15/h2-12H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).