2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid

C14H27NO2 — CID 79268970

IUPAC2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
SMILESCC1CCCC(CN(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15(10-13(16)17)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyXQJURYRMGDVTDU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds4

About 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid

2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid (PubChem CID 79268970) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
PubChem CID79268970
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
SMILESCC1CCCC(CN(CC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15(10-13(16)17)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyXQJURYRMGDVTDU-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid (CID 79268970) is 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid is CC1CCCC(CN(CC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid?
The InChIKey is XQJURYRMGDVTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-6-5-7-12(8-11)9-15(10-13(16)17)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid?
2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid is sourced from PubChem (CID 79268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).