[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate

C13H12N2O5 — CID 7193834

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
SMILESC[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC(N)=O
InChIInChI=1S/C13H12N2O5/c1-7(11(16)15-13(14)18)19-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H3,14,15,16,18)/t7-/m0/s1
InChIKeyLKIXRFMNIVPRHB-ZETCQYMHSA-N
MW276.25 g/mol
LogP1.17
Rot. Bonds3

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate (PubChem CID 7193834) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
PubChem CID7193834
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
SMILESC[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC(N)=O
InChIInChI=1S/C13H12N2O5/c1-7(11(16)15-13(14)18)19-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H3,14,15,16,18)/t7-/m0/s1
InChIKeyLKIXRFMNIVPRHB-ZETCQYMHSA-N
XLogP1.17
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 1-benzofuran-2-carboxylate
CID 7210580
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 16503015
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193579
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7284182
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786573
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 1-benzofuran-2-carboxylate
CID 7210575
[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193924
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193932
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193796
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551286

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate (CID 7193834) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate is C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
The InChIKey is LKIXRFMNIVPRHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-7(11(16)15-13(14)18)19-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H3,14,15,16,18)/t7-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate has a molecular weight of 276.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).