2-(cyclobutylamino)-2-methylbutanoic acid

C9H17NO2 — CID 82239300

IUPAC2-(cyclobutylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC1CCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(2,8(11)12)10-7-5-4-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAMVCQTZEQBNHRD-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds4

About 2-(cyclobutylamino)-2-methylbutanoic acid

2-(cyclobutylamino)-2-methylbutanoic acid (PubChem CID 82239300) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclobutylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-2-methylbutanoic acid
PubChem CID82239300
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclobutylamino)-2-methylbutanoic acid
SMILESCCC(C)(NC1CCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(2,8(11)12)10-7-5-4-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyAMVCQTZEQBNHRD-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
CID 114991643
2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 82238992
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(cyclobutylamino)-2-methylbutanoic acid (CID 82239300) is 2-(cyclobutylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(cyclobutylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(cyclobutylamino)-2-methylbutanoic acid is CCC(C)(NC1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutylamino)-2-methylbutanoic acid?
The InChIKey is AMVCQTZEQBNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(2,8(11)12)10-7-5-4-6-7/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(cyclobutylamino)-2-methylbutanoic acid?
2-(cyclobutylamino)-2-methylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-2-methylbutanoic acid is sourced from PubChem (CID 82239300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).