2-(cyclobutylamino)-2,5-dimethylhexanoic acid

C12H23NO2 — CID 115001848

IUPAC2-(cyclobutylamino)-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(NC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)7-8-12(3,11(14)15)13-10-5-4-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyAKMQWLGQJOQPMU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 2-(cyclobutylamino)-2,5-dimethylhexanoic acid

2-(cyclobutylamino)-2,5-dimethylhexanoic acid (PubChem CID 115001848) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(cyclobutylamino)-2,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-2,5-dimethylhexanoic acid
PubChem CID115001848
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(cyclobutylamino)-2,5-dimethylhexanoic acid
SMILESCC(C)CCC(C)(NC1CCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)7-8-12(3,11(14)15)13-10-5-4-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyAKMQWLGQJOQPMU-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylhexanoic acid
CID 104968645
2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
CID 79489042
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylbutanoic acid
CID 63120175
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 62721377

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-2,5-dimethylhexanoic acid?
The IUPAC name of 2-(cyclobutylamino)-2,5-dimethylhexanoic acid (CID 115001848) is 2-(cyclobutylamino)-2,5-dimethylhexanoic acid.
What is the SMILES notation for 2-(cyclobutylamino)-2,5-dimethylhexanoic acid?
The canonical SMILES for 2-(cyclobutylamino)-2,5-dimethylhexanoic acid is CC(C)CCC(C)(NC1CCC1)C(=O)O.
What is the InChIKey of 2-(cyclobutylamino)-2,5-dimethylhexanoic acid?
The InChIKey is AKMQWLGQJOQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)7-8-12(3,11(14)15)13-10-5-4-6-10/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(cyclobutylamino)-2,5-dimethylhexanoic acid?
2-(cyclobutylamino)-2,5-dimethylhexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-2,5-dimethylhexanoic acid is sourced from PubChem (CID 115001848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).