methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate

C12H21NO3 — CID 117238072

IUPACmethyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(CNC1CCC1)C1CCOC1
InChIInChI=1S/C12H21NO3/c1-15-12(14)11(9-5-6-16-8-9)7-13-10-3-2-4-10/h9-11,13H,2-8H2,1H3
InChIKeyGPXMLNIQPFMBSR-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.95
Rot. Bonds5

About methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate

methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate (PubChem CID 117238072) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
PubChem CID117238072
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
SMILESCOC(=O)C(CNC1CCC1)C1CCOC1
InChIInChI=1S/C12H21NO3/c1-15-12(14)11(9-5-6-16-8-9)7-13-10-3-2-4-10/h9-11,13H,2-8H2,1H3
InChIKeyGPXMLNIQPFMBSR-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
CID 117245851
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
methyl 3-(dimethylamino)-2-(oxolan-3-yl)propanoate
CID 117238102
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
3-(cyclopentylamino)-2-(oxolan-3-yl)propan-1-ol
CID 117237577
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
methyl 4-amino-3-(oxan-3-yl)butanoate
CID 66096417
methyl 3-(4-hydroxyphenoxy)-2-(oxan-4-yl)propanoate
CID 117239792
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
methyl 2-cyclopropyl-3-(methylamino)propanoate
CID 117245476

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate?
The IUPAC name of methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate (CID 117238072) is methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate.
What is the SMILES notation for methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate?
The canonical SMILES for methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate is COC(=O)C(CNC1CCC1)C1CCOC1.
What is the InChIKey of methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate?
The InChIKey is GPXMLNIQPFMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-12(14)11(9-5-6-16-8-9)7-13-10-3-2-4-10/h9-11,13H,2-8H2,1H3.
What are the key properties of methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate?
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate has a molecular weight of 227.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate is sourced from PubChem (CID 117238072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).