ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate

C10H18N2O3 — CID 108914495

IUPACethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)N/C=C(\C)CC
InChIInChI=1S/C10H18N2O3/c1-4-8(3)6-11-10(14)12-7-9(13)15-5-2/h6H,4-5,7H2,1-3H3,(H2,11,12,14)/b8-6+
InChIKeyMSVWADUMTBOLKI-SOFGYWHQSA-N
MW214.26 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate

ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate (PubChem CID 108914495) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate
PubChem CID108914495
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)N/C=C(\C)CC
InChIInChI=1S/C10H18N2O3/c1-4-8(3)6-11-10(14)12-7-9(13)15-5-2/h6H,4-5,7H2,1-3H3,(H2,11,12,14)/b8-6+
InChIKeyMSVWADUMTBOLKI-SOFGYWHQSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate (CID 108914495) is ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)N/C=C(\C)CC.
What is the InChIKey of ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate?
The InChIKey is MSVWADUMTBOLKI-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-8(3)6-11-10(14)12-7-9(13)15-5-2/h6H,4-5,7H2,1-3H3,(H2,11,12,14)/b8-6+.
What are the key properties of ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate?
ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate is sourced from PubChem (CID 108914495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).