2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate

C10H15NO6 — CID 89172590

IUPAC2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOC=O
InChIInChI=1S/C10H15NO6/c1-8(2)9(13)16-4-3-11-10(14)17-6-5-15-7-12/h7H,1,3-6H2,2H3,(H,11,14)
InChIKeyYSGJTCNILJGIOE-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.00
Rot. Bonds8

About 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate

2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate (PubChem CID 89172590) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
PubChem CID89172590
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)OCCOC=O
InChIInChI=1S/C10H15NO6/c1-8(2)9(13)16-4-3-11-10(14)17-6-5-15-7-12/h7H,1,3-6H2,2H3,(H,11,14)
InChIKeyYSGJTCNILJGIOE-UHFFFAOYSA-N
XLogP0.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-formyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167071208
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]propylcarbamic acid
CID 149304410
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-[2-[ethyl(methyl)amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174995899
2-[2-[3-(trimethyl-λ4-sulfanyl)propoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 139355367

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate (CID 89172590) is 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)OCCOC=O.
What is the InChIKey of 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is YSGJTCNILJGIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-8(2)9(13)16-4-3-11-10(14)17-6-5-15-7-12/h7H,1,3-6H2,2H3,(H,11,14).
What are the key properties of 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate?
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 245.23 g/mol, XLogP of 0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89172590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).