3-(cycloheptylamino)-3-methylbutanoic acid

C12H23NO2 — CID 82933537

IUPAC3-(cycloheptylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC1CCCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,9-11(14)15)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyFXXGJPPYRRDFGU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.55
Rot. Bonds4

About 3-(cycloheptylamino)-3-methylbutanoic acid

3-(cycloheptylamino)-3-methylbutanoic acid (PubChem CID 82933537) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(cycloheptylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)-3-methylbutanoic acid
PubChem CID82933537
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(cycloheptylamino)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC1CCCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,9-11(14)15)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyFXXGJPPYRRDFGU-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
N-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
CID 82937251
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
[2-(cyclohexylamino)-2-methylpropyl] 2-methylprop-2-enoate
CID 139637207
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
CID 64701514
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
4-(cyclobutylamino)-3,3-dimethylbutanoic acid
CID 115220244
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-3-methylbutanoic acid?
The IUPAC name of 3-(cycloheptylamino)-3-methylbutanoic acid (CID 82933537) is 3-(cycloheptylamino)-3-methylbutanoic acid.
What is the SMILES notation for 3-(cycloheptylamino)-3-methylbutanoic acid?
The canonical SMILES for 3-(cycloheptylamino)-3-methylbutanoic acid is CC(C)(CC(=O)O)NC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-3-methylbutanoic acid?
The InChIKey is FXXGJPPYRRDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,9-11(14)15)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(cycloheptylamino)-3-methylbutanoic acid?
3-(cycloheptylamino)-3-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-3-methylbutanoic acid is sourced from PubChem (CID 82933537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).