2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate

C12H22N2O5 — CID 59903020

IUPAC2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NC(CC)(CO)CO
InChIInChI=1S/C12H22N2O5/c1-4-12(7-15,8-16)14-11(18)13-5-6-19-10(17)9(2)3/h15-16H,2,4-8H2,1,3H3,(H2,13,14,18)
InChIKeyHNHHEEWVDYXMIS-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.46
Rot. Bonds8

About 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 59903020) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID59903020
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NC(CC)(CO)CO
InChIInChI=1S/C12H22N2O5/c1-4-12(7-15,8-16)14-11(18)13-5-6-19-10(17)9(2)3/h15-16H,2,4-8H2,1,3H3,(H2,13,14,18)
InChIKeyHNHHEEWVDYXMIS-UHFFFAOYSA-N
XLogP-0.46
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
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

1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-[2-(2-methylpropylperoxy)ethyl]urea
CID 59197386
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 130348448
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2-[bis(1-hydroxy-1-iodopropyl)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88665635
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoacetyl]oxyethyl 2,2-dimethylbutanoate
CID 58611640
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 155101057

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 59903020) is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NC(CC)(CO)CO.
What is the InChIKey of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is HNHHEEWVDYXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-12(7-15,8-16)14-11(18)13-5-6-19-10(17)9(2)3/h15-16H,2,4-8H2,1,3H3,(H2,13,14,18).
What are the key properties of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of -0.46, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59903020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).