tert-butyl 4-(cyclobutylamino)-4-oxobutanoate

C12H21NO3 — CID 106707367

IUPACtert-butyl 4-(cyclobutylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NC1CCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)8-7-10(14)13-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVNLYEIWCBLIDBM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl 4-(cyclobutylamino)-4-oxobutanoate

tert-butyl 4-(cyclobutylamino)-4-oxobutanoate (PubChem CID 106707367) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 4-(cyclobutylamino)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-(cyclobutylamino)-4-oxobutanoate
PubChem CID106707367
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 4-(cyclobutylamino)-4-oxobutanoate
SMILESCC(C)(C)OC(=O)CCC(=O)NC1CCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)8-7-10(14)13-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyVNLYEIWCBLIDBM-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 106707688
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl N-[3-oxo-3-(thian-4-ylamino)propyl]carbamate
CID 115599752
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclobutylamino)-4-oxobutanoate?
The IUPAC name of tert-butyl 4-(cyclobutylamino)-4-oxobutanoate (CID 106707367) is tert-butyl 4-(cyclobutylamino)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-(cyclobutylamino)-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-(cyclobutylamino)-4-oxobutanoate is CC(C)(C)OC(=O)CCC(=O)NC1CCC1.
What is the InChIKey of tert-butyl 4-(cyclobutylamino)-4-oxobutanoate?
The InChIKey is VNLYEIWCBLIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)8-7-10(14)13-9-5-4-6-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl 4-(cyclobutylamino)-4-oxobutanoate?
tert-butyl 4-(cyclobutylamino)-4-oxobutanoate has a molecular weight of 227.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclobutylamino)-4-oxobutanoate is sourced from PubChem (CID 106707367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).