2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid

C14H27NO2 — CID 55250948

IUPAC2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1CCCCC1N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H27NO2/c1-4-12-7-5-6-8-13(12)15(9-11(2)3)10-14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyARVWJBZKPAJKHH-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds6

About 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid

2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 55250948) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
PubChem CID55250948
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
SMILESCCC1CCCCC1N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H27NO2/c1-4-12-7-5-6-8-13(12)15(9-11(2)3)10-14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyARVWJBZKPAJKHH-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid (CID 55250948) is 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid is CCC1CCCCC1N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is ARVWJBZKPAJKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-12-7-5-6-8-13(12)15(9-11(2)3)10-14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid?
2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55250948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).