3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid

C10H15NO6 — CID 88965929

IUPAC3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
SMILESC=C(C)C(=O)OCCNC(=O)OCCC(=O)O
InChIInChI=1S/C10H15NO6/c1-7(2)9(14)16-6-4-11-10(15)17-5-3-8(12)13/h1,3-6H2,2H3,(H,11,15)(H,12,13)
InChIKeyNGMAXOLPKNUXGT-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.31
Rot. Bonds7

About 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid

3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid (PubChem CID 88965929) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
PubChem CID88965929
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
SMILESC=C(C)C(=O)OCCNC(=O)OCCC(=O)O
InChIInChI=1S/C10H15NO6/c1-7(2)9(14)16-6-4-11-10(15)17-5-3-8(12)13/h1,3-6H2,2H3,(H,11,15)(H,12,13)
InChIKeyNGMAXOLPKNUXGT-UHFFFAOYSA-N
XLogP0.31
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
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-[ethyl(methyl)amino]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 174995899
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
[5-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2-oxopentyl]phosphonic acid
CID 122396505
2-(ethylcarbamoyloxy)ethyl 2-methylprop-2-enoate;molecular hydrogen
CID 163302346
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[2-[2-(prop-1-en-2-yloxymethoxy)ethoxycarbonylamino]ethoxy]ethyl 2-methylprop-2-enoate
CID 23571684

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid?
The IUPAC name of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid (CID 88965929) is 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid?
The canonical SMILES for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid is C=C(C)C(=O)OCCNC(=O)OCCC(=O)O.
What is the InChIKey of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid?
The InChIKey is NGMAXOLPKNUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-7(2)9(14)16-6-4-11-10(15)17-5-3-8(12)13/h1,3-6H2,2H3,(H,11,15)(H,12,13).
What are the key properties of 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid?
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid has a molecular weight of 245.23 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid is sourced from PubChem (CID 88965929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).