2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate

C8H14N2O4 — CID 139748452

IUPAC2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CO)C(N)=O
InChIInChI=1S/C8H14N2O4/c1-6(2)7(12)14-4-3-10(5-11)8(9)13/h11H,1,3-5H2,2H3,(H2,9,13)
InChIKeyHBOTYVBQGCOQHF-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.56
Rot. Bonds5

About 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate

2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 139748452) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID139748452
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CO)C(N)=O
InChIInChI=1S/C8H14N2O4/c1-6(2)7(12)14-4-3-10(5-11)8(9)13/h11H,1,3-5H2,2H3,(H2,9,13)
InChIKeyHBOTYVBQGCOQHF-UHFFFAOYSA-N
XLogP-0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
2-[ethoxycarbonyl-[6-[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]hexyl]amino]ethyl 2-methylprop-2-enoate
CID 139632024
2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl]amino]ethyl 2,2-dimethylpropanoate
CID 154988874
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate (CID 139748452) is 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CO)C(N)=O.
What is the InChIKey of 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is HBOTYVBQGCOQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(2)7(12)14-4-3-10(5-11)8(9)13/h11H,1,3-5H2,2H3,(H2,9,13).
What are the key properties of 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate?
2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 202.21 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139748452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).