4-(cyclooctylamino)-2,2-dimethylbutanoic acid

C14H27NO2 — CID 122084393

IUPAC4-(cyclooctylamino)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-14(2,13(16)17)10-11-15-12-8-6-4-3-5-7-9-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBKOHYVBGOQIBSL-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.19
Rot. Bonds5

About 4-(cyclooctylamino)-2,2-dimethylbutanoic acid

4-(cyclooctylamino)-2,2-dimethylbutanoic acid (PubChem CID 122084393) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-(cyclooctylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(cyclooctylamino)-2,2-dimethylbutanoic acid
PubChem CID122084393
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-(cyclooctylamino)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CCCCCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-14(2,13(16)17)10-11-15-12-8-6-4-3-5-7-9-12/h12,15H,3-11H2,1-2H3,(H,16,17)
InChIKeyBKOHYVBGOQIBSL-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
2,2-dimethyl-4-(thian-3-ylamino)butanoic acid
CID 122084398
4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid
CID 122127557
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
CID 122084464
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
4-(cycloheptylamino)butanoic acid
CID 43377987
4-(cyclohexylmethylsulfonylamino)-2,2-dimethylbutanoic acid
CID 114285500
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516

Frequently Asked Questions

What is the IUPAC name of 4-(cyclooctylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(cyclooctylamino)-2,2-dimethylbutanoic acid (CID 122084393) is 4-(cyclooctylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(cyclooctylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(cyclooctylamino)-2,2-dimethylbutanoic acid is CC(C)(CCNC1CCCCCCC1)C(=O)O.
What is the InChIKey of 4-(cyclooctylamino)-2,2-dimethylbutanoic acid?
The InChIKey is BKOHYVBGOQIBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,13(16)17)10-11-15-12-8-6-4-3-5-7-9-12/h12,15H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 4-(cyclooctylamino)-2,2-dimethylbutanoic acid?
4-(cyclooctylamino)-2,2-dimethylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclooctylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122084393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).