2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid

C14H25NO2 — CID 114998299

IUPAC2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid
SMILESCCC1CCCCC1NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO2/c1-3-10-6-4-5-7-12(10)15-14(2,13(16)17)11-8-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyUAOVMUFEIJNLHF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.80
Rot. Bonds5

About 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid

2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid (PubChem CID 114998299) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid
PubChem CID114998299
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid
SMILESCCC1CCCCC1NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H25NO2/c1-3-10-6-4-5-7-12(10)15-14(2,13(16)17)11-8-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyUAOVMUFEIJNLHF-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid (CID 114998299) is 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid is CCC1CCCCC1NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid?
The InChIKey is UAOVMUFEIJNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-10-6-4-5-7-12(10)15-14(2,13(16)17)11-8-9-11/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-ethylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 114998299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).