methyl 2-(cyclobutene-1-carbonylamino)propanoate

C9H13NO3 — CID 74319549

IUPACmethyl 2-(cyclobutene-1-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C1=CCC1
InChIInChI=1S/C9H13NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h4,6H,3,5H2,1-2H3,(H,10,11)
InChIKeyLBOSDHUMECSXGG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-(cyclobutene-1-carbonylamino)propanoate

methyl 2-(cyclobutene-1-carbonylamino)propanoate (PubChem CID 74319549) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-(cyclobutene-1-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(cyclobutene-1-carbonylamino)propanoate
PubChem CID74319549
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 2-(cyclobutene-1-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C1=CCC1
InChIInChI=1S/C9H13NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h4,6H,3,5H2,1-2H3,(H,10,11)
InChIKeyLBOSDHUMECSXGG-UHFFFAOYSA-N
XLogP0.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(cyclobutene-1-carbonylamino)acetate
CID 24802879
methyl (E,2S)-2-acetamido-4-methylhex-4-enoate
CID 101940013
Cyclobutenecarbonyl glycine
CID 129859103
Methyl 2-(cyclohexene-1-carbonylamino)acetate
CID 12190476
methyl (2S)-2-(cyclohexene-1-carbonylamino)propanoate
CID 12190477
methyl (2S)-2-(cyclohexene-1-carbonylamino)-3-methylbutanoate
CID 12190479
methyl (2S)-2-[[(E)-2-propylpent-2-enoyl]amino]propanoate
CID 22868060
methyl 2-[[(E)-2-propylpent-2-enoyl]amino]acetate
CID 22868062
Tert-butyl 2-(cyclobutene-1-carbonylamino)acetate
CID 24802881
methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
CID 24802882
N-(2-methoxyethyl)cyclobutene-1-carboxamide
CID 24802883
dimethyl (2S)-2-(cyclobutene-1-carbonylamino)pentanedioate
CID 24803043

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclobutene-1-carbonylamino)propanoate?
The IUPAC name of methyl 2-(cyclobutene-1-carbonylamino)propanoate (CID 74319549) is methyl 2-(cyclobutene-1-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(cyclobutene-1-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(cyclobutene-1-carbonylamino)propanoate is COC(=O)C(C)NC(=O)C1=CCC1.
What is the InChIKey of methyl 2-(cyclobutene-1-carbonylamino)propanoate?
The InChIKey is LBOSDHUMECSXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(9(12)13-2)10-8(11)7-4-3-5-7/h4,6H,3,5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-(cyclobutene-1-carbonylamino)propanoate?
methyl 2-(cyclobutene-1-carbonylamino)propanoate has a molecular weight of 183.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclobutene-1-carbonylamino)propanoate is sourced from PubChem (CID 74319549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).