propyl 2-aminoacetate

C5H11NO2 — CID 2759255

IUPACpropyl 2-aminoacetate
SMILESCCCOC(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-3-8-5(7)4-6/h2-4,6H2,1H3
InChIKeyXNOLRFVMWOSFSK-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds3

About propyl 2-aminoacetate

propyl 2-aminoacetate (PubChem CID 2759255) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is propyl 2-aminoacetate.

Molecular Properties

Compound Namepropyl 2-aminoacetate
PubChem CID2759255
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namepropyl 2-aminoacetate
SMILESCCCOC(=O)CN
InChIInChI=1S/C5H11NO2/c1-2-3-8-5(7)4-6/h2-4,6H2,1H3
InChIKeyXNOLRFVMWOSFSK-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-aminoacetate?
The IUPAC name of propyl 2-aminoacetate (CID 2759255) is propyl 2-aminoacetate.
What is the SMILES notation for propyl 2-aminoacetate?
The canonical SMILES for propyl 2-aminoacetate is CCCOC(=O)CN.
What is the InChIKey of propyl 2-aminoacetate?
The InChIKey is XNOLRFVMWOSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-8-5(7)4-6/h2-4,6H2,1H3.
What are the key properties of propyl 2-aminoacetate?
propyl 2-aminoacetate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-aminoacetate is sourced from PubChem (CID 2759255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).