2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid

C13H23NO2 — CID 65060020

IUPAC2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C)C(NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-8-3-4-9(2)11(7-8)14-12(13(15)16)10-5-6-10/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyROCGQJVQKLMWJW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.26
Rot. Bonds4

About 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid

2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid (PubChem CID 65060020) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid
PubChem CID65060020
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid
SMILESCC1CCC(C)C(NC(C(=O)O)C2CC2)C1
InChIInChI=1S/C13H23NO2/c1-8-3-4-9(2)11(7-8)14-12(13(15)16)10-5-6-10/h8-12,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyROCGQJVQKLMWJW-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid (CID 65060020) is 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid is CC1CCC(C)C(NC(C(=O)O)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid?
The InChIKey is ROCGQJVQKLMWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8-3-4-9(2)11(7-8)14-12(13(15)16)10-5-6-10/h8-12,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid?
2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,5-dimethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65060020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).