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

C9H13NO3 — CID 24802882

IUPACmethyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
SMILESCOC(=O)[C@H](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)/t6-/m0/s1
InChIKeyLBOSDHUMECSXGG-LURJTMIESA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds3

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

methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate (PubChem CID 24802882) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
PubChem CID24802882
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate
SMILESCOC(=O)[C@H](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)/t6-/m0/s1
InChIKeyLBOSDHUMECSXGG-LURJTMIESA-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

N-propan-2-ylcyclobutene-1-carboxamide
CID 126994401
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
methyl (2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoate
CID 113257882
methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
methyl 2-(thiadiazole-5-carbonylamino)propanoate
CID 61037921
methyl (2R)-2-acetamidopropanoate
CID 6951031

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate (CID 24802882) is methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate is COC(=O)[C@H](C)NC(=O)C1=CCC1.
What is the InChIKey of methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate?
The InChIKey is LBOSDHUMECSXGG-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(cyclobutene-1-carbonylamino)propanoate?
methyl (2S)-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 (2S)-2-(cyclobutene-1-carbonylamino)propanoate is sourced from PubChem (CID 24802882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).