tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate

C12H22N2O3 — CID 104892208

IUPACtert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
SMILESC[C@@H](NC(=O)NC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(10(15)17-12(2,3)4)13-11(16)14-9-6-5-7-9/h8-9H,5-7H2,1-4H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyKRDMIGQTFYZUPZ-MRVPVSSYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate

tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate (PubChem CID 104892208) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
PubChem CID104892208
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
SMILESC[C@@H](NC(=O)NC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8(10(15)17-12(2,3)4)13-11(16)14-9-6-5-7-9/h8-9H,5-7H2,1-4H3,(H2,13,14,16)/t8-/m1/s1
InChIKeyKRDMIGQTFYZUPZ-MRVPVSSYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate (CID 104892208) is tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate is C[C@@H](NC(=O)NC1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate?
The InChIKey is KRDMIGQTFYZUPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(10(15)17-12(2,3)4)13-11(16)14-9-6-5-7-9/h8-9H,5-7H2,1-4H3,(H2,13,14,16)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate?
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate is sourced from PubChem (CID 104892208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).