4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid

C14H27NO2 — CID 122127557

IUPAC4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CC(C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-13(2,3)10-8-11(9-10)15-7-6-14(4,5)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyNPABYEFSSXKQHE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds5

About 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid

4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 122127557) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid
PubChem CID122127557
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CC(C(C)(C)C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-13(2,3)10-8-11(9-10)15-7-6-14(4,5)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyNPABYEFSSXKQHE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R)-3-acetamido-2,2-dimethylcyclobutane-1-carboxylic acid
CID 11183048
trans-(1R,3S)-3-acetamido-2,2-dimethylcyclobutane-1-carboxylic acid
CID 13297837
3-Acetamido-2,2-dimethylcyclobutane-1-carboxylic acid
CID 13297836
4-(2-Ethylhexylamino)butanoic acid
CID 20337671
4-(3-Carboxypropylamino)-2-ethyl-2-methylpentanoic acid
CID 20661384
3-Methyl-2-[2-(methylamino)ethyl]butanoic acid
CID 21672858
2-[2-(Hexylamino)ethyl]pentanoic acid
CID 53968969
3-Tert-butylpiperidine-4-carboxylic acid
CID 57526805
(2S)-2,3-dimethyl-4-(methylamino)pentanoic acid
CID 58391099
2,3-Dimethyl-4-(methylamino)pentanoic acid
CID 58391138
(2S,4S)-2,3-dimethyl-4-(methylamino)pentanoic acid
CID 58391176
4-Tert-butylpiperidine-4-carboxylic acid
CID 58530627

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid (CID 122127557) is 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid is CC(C)(CCNC1CC(C(C)(C)C)C1)C(=O)O.
What is the InChIKey of 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is NPABYEFSSXKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)10-8-11(9-10)15-7-6-14(4,5)12(16)17/h10-11,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid?
4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butylcyclobutyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 122127557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).