but-3-en-2-yl 2-aminoacetate

C6H11NO2 — CID 91432114

IUPACbut-3-en-2-yl 2-aminoacetate
SMILESC=CC(C)OC(=O)CN
InChIInChI=1S/C6H11NO2/c1-3-5(2)9-6(8)4-7/h3,5H,1,4,7H2,2H3
InChIKeyHDDRBPPCOHEGEA-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.06
Rot. Bonds3

About but-3-en-2-yl 2-aminoacetate

but-3-en-2-yl 2-aminoacetate (PubChem CID 91432114) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is but-3-en-2-yl 2-aminoacetate.

Molecular Properties

Compound Namebut-3-en-2-yl 2-aminoacetate
PubChem CID91432114
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namebut-3-en-2-yl 2-aminoacetate
SMILESC=CC(C)OC(=O)CN
InChIInChI=1S/C6H11NO2/c1-3-5(2)9-6(8)4-7/h3,5H,1,4,7H2,2H3
InChIKeyHDDRBPPCOHEGEA-UHFFFAOYSA-N
XLogP0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl 2-aminoacetate?
The IUPAC name of but-3-en-2-yl 2-aminoacetate (CID 91432114) is but-3-en-2-yl 2-aminoacetate.
What is the SMILES notation for but-3-en-2-yl 2-aminoacetate?
The canonical SMILES for but-3-en-2-yl 2-aminoacetate is C=CC(C)OC(=O)CN.
What is the InChIKey of but-3-en-2-yl 2-aminoacetate?
The InChIKey is HDDRBPPCOHEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(2)9-6(8)4-7/h3,5H,1,4,7H2,2H3.
What are the key properties of but-3-en-2-yl 2-aminoacetate?
but-3-en-2-yl 2-aminoacetate has a molecular weight of 129.16 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-aminoacetate is sourced from PubChem (CID 91432114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).