2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate

C13H23NO3 — CID 95572933

IUPAC2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESC[C@H](NC(=O)C1CCC1)C(=O)OCC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(12(16)17-8-13(2,3)4)14-11(15)10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyCIRRRNPIOGVGFO-VIFPVBQESA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds4

About 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate

2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate (PubChem CID 95572933) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate
PubChem CID95572933
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate
SMILESC[C@H](NC(=O)C1CCC1)C(=O)OCC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(12(16)17-8-13(2,3)4)14-11(15)10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyCIRRRNPIOGVGFO-VIFPVBQESA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
tetradecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836864
tridecyl (2S)-2-(cyclobutanecarbonylamino)propanoate
CID 20836869
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
CID 20836982
heptyl 2-(cyclohexanecarbonylamino)propanoate
CID 6420545
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The IUPAC name of 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate (CID 95572933) is 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate.
What is the SMILES notation for 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The canonical SMILES for 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate is C[C@H](NC(=O)C1CCC1)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
The InChIKey is CIRRRNPIOGVGFO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(12(16)17-8-13(2,3)4)14-11(15)10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate?
2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (2S)-2-(cyclobutanecarbonylamino)propanoate is sourced from PubChem (CID 95572933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).