methyl 5-aminopentanoate

C6H13NO2 — CID 10964545

IUPACmethyl 5-aminopentanoate
SMILESCOC(=O)CCCCN
InChIInChI=1S/C6H13NO2/c1-9-6(8)4-2-3-5-7/h2-5,7H2,1H3
InChIKeyULBCJDXDVAJYNI-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds4

About methyl 5-aminopentanoate

methyl 5-aminopentanoate (PubChem CID 10964545) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl 5-aminopentanoate.

Molecular Properties

Compound Namemethyl 5-aminopentanoate
PubChem CID10964545
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl 5-aminopentanoate
SMILESCOC(=O)CCCCN
InChIInChI=1S/C6H13NO2/c1-9-6(8)4-2-3-5-7/h2-5,7H2,1H3
InChIKeyULBCJDXDVAJYNI-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminopentanoate?
The IUPAC name of methyl 5-aminopentanoate (CID 10964545) is methyl 5-aminopentanoate.
What is the SMILES notation for methyl 5-aminopentanoate?
The canonical SMILES for methyl 5-aminopentanoate is COC(=O)CCCCN.
What is the InChIKey of methyl 5-aminopentanoate?
The InChIKey is ULBCJDXDVAJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-9-6(8)4-2-3-5-7/h2-5,7H2,1H3.
What are the key properties of methyl 5-aminopentanoate?
methyl 5-aminopentanoate has a molecular weight of 131.18 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminopentanoate is sourced from PubChem (CID 10964545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).