butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate

C10H17NO4 — CID 18954900

IUPACbutyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OCCCC
InChIInChI=1S/C10H17NO4/c1-4-5-6-15-10(14)9(13)11-8(12)7(2)3/h9,13H,2,4-6H2,1,3H3,(H,11,12)
InChIKeyXXFZLYVDPCJRLW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds6

About butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate

butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (PubChem CID 18954900) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Namebutyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
PubChem CID18954900
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namebutyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OCCCC
InChIInChI=1S/C10H17NO4/c1-4-5-6-15-10(14)9(13)11-8(12)7(2)3/h9,13H,2,4-6H2,1,3H3,(H,11,12)
InChIKeyXXFZLYVDPCJRLW-UHFFFAOYSA-N
XLogP0.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (CID 18954900) is butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NC(O)C(=O)OCCCC.
What is the InChIKey of butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is XXFZLYVDPCJRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-5-6-15-10(14)9(13)11-8(12)7(2)3/h9,13H,2,4-6H2,1,3H3,(H,11,12).
What are the key properties of butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 215.25 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 18954900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).