ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate

C9H14N2O4 — CID 102414686

IUPACethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(NC(N)=O)C1
InChIInChI=1S/C9H14N2O4/c1-3-14-8(12)6-4-7(11-9(10)13)15-5(6)2/h7H,3-4H2,1-2H3,(H3,10,11,13)
InChIKeyNIFSGQKDYZBPNI-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.24
Rot. Bonds3

About ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 102414686) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID102414686
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(NC(N)=O)C1
InChIInChI=1S/C9H14N2O4/c1-3-14-8(12)6-4-7(11-9(10)13)15-5(6)2/h7H,3-4H2,1-2H3,(H3,10,11,13)
InChIKeyNIFSGQKDYZBPNI-UHFFFAOYSA-N
XLogP0.24
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883
diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
CID 15175272
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
CID 86336109
ethyl 5-sulfanyl-3,6-dihydro-2H-pyran-4-carboxylate
CID 22026123
ethyl 2-(2-methoxy-2-oxoethyl)-5-[(E)-2-phenylethenyl]-2,3-dihydrofuran-4-carboxylate
CID 102293123
diethyl 2,6-dimethyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate
CID 58624989
ethyl 6-methyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran-5-carboxylate
CID 11043911
ethyl (3R,4R,5S)-5-amino-4-(carbamoylamino)-3-pentan-3-yloxycyclohexene-1-carboxylate;hydrochloride
CID 142762316

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 102414686) is ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(NC(N)=O)C1.
What is the InChIKey of ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is NIFSGQKDYZBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-14-8(12)6-4-7(11-9(10)13)15-5(6)2/h7H,3-4H2,1-2H3,(H3,10,11,13).
What are the key properties of ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoylamino)-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 102414686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).