2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate

C7H10ClNO3 — CID 18000331

IUPAC2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Cl
InChIInChI=1S/C7H10ClNO3/c1-5(2)6(10)12-4-3-9-7(8)11/h1,3-4H2,2H3,(H,9,11)
InChIKeyGONKUPKTTHXYPQ-UHFFFAOYSA-N
MW191.61 g/mol
LogP1.05
Rot. Bonds4

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

2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 18000331) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
PubChem CID18000331
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Cl
InChIInChI=1S/C7H10ClNO3/c1-5(2)6(10)12-4-3-9-7(8)11/h1,3-4H2,2H3,(H,9,11)
InChIKeyGONKUPKTTHXYPQ-UHFFFAOYSA-N
XLogP1.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
CID 134458425
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626

Frequently Asked Questions

What is the IUPAC name of 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate (CID 18000331) is 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)Cl.
What is the InChIKey of 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is GONKUPKTTHXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3/c1-5(2)6(10)12-4-3-9-7(8)11/h1,3-4H2,2H3,(H,9,11).
What are the key properties of 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate?
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 191.61 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18000331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).