2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid

C16H31NO2 — CID 65095103

IUPAC2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C1CCCC(C(C)(C)C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C16H31NO2/c1-15(2,3)12-8-7-9-13(11-10-12)17(6)16(4,5)14(18)19/h12-13H,7-11H2,1-6H3,(H,18,19)
InChIKeyWBCKTHQQCGGCAO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.78
Rot. Bonds3

About 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid

2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid (PubChem CID 65095103) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
PubChem CID65095103
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C1CCCC(C(C)(C)C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C16H31NO2/c1-15(2,3)12-8-7-9-13(11-10-12)17(6)16(4,5)14(18)19/h12-13H,7-11H2,1-6H3,(H,18,19)
InChIKeyWBCKTHQQCGGCAO-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114994706
2-methyl-2-[methyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65060695
1,4-ditert-butylcycloheptane
CID 58579546
2-methyl-2-[methyl-(1-propylazepan-4-yl)amino]propanoic acid
CID 65077247
acetic acid;tert-butylcyclohexane
CID 69013500
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
CID 65067690
N-tert-butyl-N-(5-tert-butylcyclooctyl)hydroxylamine
CID 167289375
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid (CID 65095103) is 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid is CN(C1CCCC(C(C)(C)C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is WBCKTHQQCGGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,3)12-8-7-9-13(11-10-12)17(6)16(4,5)14(18)19/h12-13H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid?
2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcycloheptyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).