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

C14H25NO4 — CID 43235038

IUPAC2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-19-9-5-8-15-12(16)10-14(11-13(17)18)6-3-2-4-7-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyYBRZELHTIGKSNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds8

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

2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235038) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235038
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCOCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-19-9-5-8-15-12(16)10-14(11-13(17)18)6-3-2-4-7-14/h2-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyYBRZELHTIGKSNZ-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
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-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 43235038) is 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid is COCCCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is YBRZELHTIGKSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-19-9-5-8-15-12(16)10-14(11-13(17)18)6-3-2-4-7-14/h2-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxypropylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).