2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid

C17H33NO2 — CID 65094431

IUPAC2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-13(2)11-18(12-16(19)20)15-8-6-7-14(9-10-15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyVYSAOARZUDLGFU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.02
Rot. Bonds5

About 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid

2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65094431) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
PubChem CID65094431
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33NO2/c1-13(2)11-18(12-16(19)20)15-8-6-7-14(9-10-15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20)
InChIKeyVYSAOARZUDLGFU-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid (CID 65094431) is 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is VYSAOARZUDLGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(2)11-18(12-16(19)20)15-8-6-7-14(9-10-15)17(3,4)5/h13-15H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 283.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65094431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).