[(1R)-1-amino-3-methylselanylpropyl] formate

C5H11NO2Se — CID 140583043

IUPAC[(1R)-1-amino-3-methylselanylpropyl] formate
SMILESC[Se]CC[C@H](N)OC=O
InChIInChI=1S/C5H11NO2Se/c1-9-3-2-5(6)8-4-7/h4-5H,2-3,6H2,1H3/t5-/m1/s1
InChIKeyKUZFTXSOPQWTLY-RXMQYKEDSA-N
MW196.11 g/mol
LogP0.00
Rot. Bonds5

About [(1R)-1-amino-3-methylselanylpropyl] formate

[(1R)-1-amino-3-methylselanylpropyl] formate (PubChem CID 140583043) has the molecular formula C5H11NO2Se and a molecular weight of 196.11 g/mol. Its IUPAC name is [(1R)-1-amino-3-methylselanylpropyl] formate.

Molecular Properties

Compound Name[(1R)-1-amino-3-methylselanylpropyl] formate
PubChem CID140583043
Molecular FormulaC5H11NO2Se
Molecular Weight196.11 g/mol
Exact Mass197.00
IUPAC Name[(1R)-1-amino-3-methylselanylpropyl] formate
SMILESC[Se]CC[C@H](N)OC=O
InChIInChI=1S/C5H11NO2Se/c1-9-3-2-5(6)8-4-7/h4-5H,2-3,6H2,1H3/t5-/m1/s1
InChIKeyKUZFTXSOPQWTLY-RXMQYKEDSA-N
XLogP0.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-3-methylselanylpropyl] formate?
The IUPAC name of [(1R)-1-amino-3-methylselanylpropyl] formate (CID 140583043) is [(1R)-1-amino-3-methylselanylpropyl] formate.
What is the SMILES notation for [(1R)-1-amino-3-methylselanylpropyl] formate?
The canonical SMILES for [(1R)-1-amino-3-methylselanylpropyl] formate is C[Se]CC[C@H](N)OC=O.
What is the InChIKey of [(1R)-1-amino-3-methylselanylpropyl] formate?
The InChIKey is KUZFTXSOPQWTLY-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO2Se/c1-9-3-2-5(6)8-4-7/h4-5H,2-3,6H2,1H3/t5-/m1/s1.
What are the key properties of [(1R)-1-amino-3-methylselanylpropyl] formate?
[(1R)-1-amino-3-methylselanylpropyl] formate has a molecular weight of 196.11 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-3-methylselanylpropyl] formate is sourced from PubChem (CID 140583043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).