tert-butyl 3-(tert-butylamino)-3-methylbutanoate

C13H27NO2 — CID 173368452

IUPACtert-butyl 3-(tert-butylamino)-3-methylbutanoate
SMILESCC(C)(C)NC(C)(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2,3)14-13(7,8)9-10(15)16-12(4,5)6/h14H,9H2,1-8H3
InChIKeyOSPBGQWIAOJOPS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 3-(tert-butylamino)-3-methylbutanoate

tert-butyl 3-(tert-butylamino)-3-methylbutanoate (PubChem CID 173368452) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is tert-butyl 3-(tert-butylamino)-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 3-(tert-butylamino)-3-methylbutanoate
PubChem CID173368452
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nametert-butyl 3-(tert-butylamino)-3-methylbutanoate
SMILESCC(C)(C)NC(C)(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2,3)14-13(7,8)9-10(15)16-12(4,5)6/h14H,9H2,1-8H3
InChIKeyOSPBGQWIAOJOPS-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
tert-butyl 3,3-dimethylhex-4-ynoate
CID 167634573
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
4-O-tert-butyl 1-O-methyl 2,2-diaminobutanedioate
CID 54473599
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
CID 87168072
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 15631255
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
tert-butyl 3-oxo-3-(phosphanylamino)propanoate
CID 139519590
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl 3,4-diamino-3-methyl-4-oxobutanoate
CID 56999618
ditert-butyl pentanedioate
CID 3016405
tert-butyl propanoate;hydrobromide
CID 172778720

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(tert-butylamino)-3-methylbutanoate?
The IUPAC name of tert-butyl 3-(tert-butylamino)-3-methylbutanoate (CID 173368452) is tert-butyl 3-(tert-butylamino)-3-methylbutanoate.
What is the SMILES notation for tert-butyl 3-(tert-butylamino)-3-methylbutanoate?
The canonical SMILES for tert-butyl 3-(tert-butylamino)-3-methylbutanoate is CC(C)(C)NC(C)(C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(tert-butylamino)-3-methylbutanoate?
The InChIKey is OSPBGQWIAOJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2,3)14-13(7,8)9-10(15)16-12(4,5)6/h14H,9H2,1-8H3.
What are the key properties of tert-butyl 3-(tert-butylamino)-3-methylbutanoate?
tert-butyl 3-(tert-butylamino)-3-methylbutanoate has a molecular weight of 229.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(tert-butylamino)-3-methylbutanoate is sourced from PubChem (CID 173368452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).