[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

C13H18N2O6 — CID 41037172

IUPAC[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(CO)oc1C
InChIInChI=1S/C13H18N2O6/c1-4-14-13(19)15-11(17)8(3)21-12(18)10-5-9(6-16)20-7(10)2/h5,8,16H,4,6H2,1-3H3,(H2,14,15,17,19)/t8-/m1/s1
InChIKeyMFGOVWBWELBVLD-MRVPVSSYSA-N
MW298.30 g/mol
LogP0.47
Rot. Bonds5

About [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (PubChem CID 41037172) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
PubChem CID41037172
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(CO)oc1C
InChIInChI=1S/C13H18N2O6/c1-4-14-13(19)15-11(17)8(3)21-12(18)10-5-9(6-16)20-7(10)2/h5,8,16H,4,6H2,1-3H3,(H2,14,15,17,19)/t8-/m1/s1
InChIKeyMFGOVWBWELBVLD-MRVPVSSYSA-N
XLogP0.47
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate
CID 17400075
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562979
propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
CID 139747350
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 2639961
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 4667647
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3955885
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2563870
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2637860
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate (CID 41037172) is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(CO)oc1C.
What is the InChIKey of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
The InChIKey is MFGOVWBWELBVLD-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-4-14-13(19)15-11(17)8(3)21-12(18)10-5-9(6-16)20-7(10)2/h5,8,16H,4,6H2,1-3H3,(H2,14,15,17,19)/t8-/m1/s1.
What are the key properties of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate?
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 41037172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).