[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C11H13N3O6 — CID 42970594

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)NC(N)=O
InChIInChI=1S/C11H13N3O6/c1-6(9(16)14-11(12)18)20-8(15)5-13-10(17)7-3-2-4-19-7/h2-4,6H,5H2,1H3,(H,13,17)(H3,12,14,16,18)
InChIKeyLOYYKFMWJROORQ-UHFFFAOYSA-N
MW283.24 g/mol
LogP-0.86
Rot. Bonds5

About [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 42970594) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID42970594
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESCC(OC(=O)CNC(=O)c1ccco1)C(=O)NC(N)=O
InChIInChI=1S/C11H13N3O6/c1-6(9(16)14-11(12)18)20-8(15)5-13-10(17)7-3-2-4-19-7/h2-4,6H,5H2,1H3,(H,13,17)(H3,12,14,16,18)
InChIKeyLOYYKFMWJROORQ-UHFFFAOYSA-N
XLogP-0.86
TPSA140.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879875
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 9309933
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875512
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833353
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791458
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899281
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7880037

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 42970594) is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is CC(OC(=O)CNC(=O)c1ccco1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is LOYYKFMWJROORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-6(9(16)14-11(12)18)20-8(15)5-13-10(17)7-3-2-4-19-7/h2-4,6H,5H2,1H3,(H,13,17)(H3,12,14,16,18).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 283.24 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 42970594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).