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

C10H19NO2 — CID 115221054

IUPAC4-(cyclobutylamino)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)13)6-7-11-8-4-3-5-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRYTDDMLVKHJQRB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds5

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

4-(cyclobutylamino)-2,2-dimethylbutanoic acid (PubChem CID 115221054) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(cyclobutylamino)-2,2-dimethylbutanoic acid
PubChem CID115221054
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(cyclobutylamino)-2,2-dimethylbutanoic acid
SMILESCC(C)(CCNC1CCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)13)6-7-11-8-4-3-5-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyRYTDDMLVKHJQRB-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-2,2-dimethylbutanoic acid
CID 122084393
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
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
CID 122084464
4-(cyclooctanecarbonylamino)-2,2-dimethylbutanoic acid
CID 114285462
2,2-dimethyl-4-[(3-methyl-3-phenylcyclobutyl)amino]butanoic acid
CID 122127498
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
4-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122127228
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127276

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(cyclobutylamino)-2,2-dimethylbutanoic acid (CID 115221054) is 4-(cyclobutylamino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(cyclobutylamino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(cyclobutylamino)-2,2-dimethylbutanoic acid is CC(C)(CCNC1CCC1)C(=O)O.
What is the InChIKey of 4-(cyclobutylamino)-2,2-dimethylbutanoic acid?
The InChIKey is RYTDDMLVKHJQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,9(12)13)6-7-11-8-4-3-5-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(cyclobutylamino)-2,2-dimethylbutanoic acid?
4-(cyclobutylamino)-2,2-dimethylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 115221054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).