2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid

C15H27NO4 — CID 65242775

IUPAC2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid
SMILESCCCOCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-10-20-11-7-13(17)16(2)15(12-14(18)19)8-5-4-6-9-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyKYCHSKRIRNABFR-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds8

About 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid (PubChem CID 65242775) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid
PubChem CID65242775
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid
SMILESCCCOCCC(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27NO4/c1-3-10-20-11-7-13(17)16(2)15(12-14(18)19)8-5-4-6-9-15/h3-12H2,1-2H3,(H,18,19)
InChIKeyKYCHSKRIRNABFR-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid (CID 65242775) is 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid is CCCOCCC(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid?
The InChIKey is KYCHSKRIRNABFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-10-20-11-7-13(17)16(2)15(12-14(18)19)8-5-4-6-9-15/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(3-propoxypropanoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).