ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate

C9H14N6O4 — CID 79317381

IUPACethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H14N6O4/c1-4-19-8(17)6-12-13-14-15(6)5(2)7(16)11-9(18)10-3/h5H,4H2,1-3H3,(H2,10,11,16,18)
InChIKeySENXRJRCDGMCSX-UHFFFAOYSA-N
MW270.25 g/mol
LogP-1.13
Rot. Bonds4

About ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate

ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate (PubChem CID 79317381) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
PubChem CID79317381
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Nameethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C(C)C(=O)NC(=O)NC
InChIInChI=1S/C9H14N6O4/c1-4-19-8(17)6-12-13-14-15(6)5(2)7(16)11-9(18)10-3/h5H,4H2,1-3H3,(H2,10,11,16,18)
InChIKeySENXRJRCDGMCSX-UHFFFAOYSA-N
XLogP-1.13
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[1-(methylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate
CID 79317682
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]tetrazole-5-carboxylate
CID 79317458
ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate
CID 79309339
5-(methoxymethyl)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 102643239
ethyl 1-(3-methylbutyl)tetrazole-5-carboxylate
CID 79318083
2-O-ethyl 4-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501873
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate
CID 79317376
ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
CID 79317843
2-(4-formyltriazol-1-yl)-N-(methylcarbamoyl)propanamide
CID 66213759
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
2-amino-3-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735018

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate (CID 79317381) is ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1C(C)C(=O)NC(=O)NC.
What is the InChIKey of ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate?
The InChIKey is SENXRJRCDGMCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-4-19-8(17)6-12-13-14-15(6)5(2)7(16)11-9(18)10-3/h5H,4H2,1-3H3,(H2,10,11,16,18).
What are the key properties of ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate?
ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate has a molecular weight of 270.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]tetrazole-5-carboxylate is sourced from PubChem (CID 79317381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).