3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid

C14H25NO4 — CID 175072149

IUPAC3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)N(CC)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-15(14(18)19-4-2)12(10-13(16)17)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyTVWIUZJVOIGPFV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.89
Rot. Bonds6

About 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid

3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid (PubChem CID 175072149) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid
PubChem CID175072149
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid
SMILESCCOC(=O)N(CC)C(CC(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-3-15(14(18)19-4-2)12(10-13(16)17)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyTVWIUZJVOIGPFV-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid (CID 175072149) is 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid is CCOC(=O)N(CC)C(CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
The InChIKey is TVWIUZJVOIGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-15(14(18)19-4-2)12(10-13(16)17)11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid?
3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[ethoxycarbonyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 175072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).