cyclopentyl 4-aminooxybutanoate

C9H17NO3 — CID 145423732

IUPACcyclopentyl 4-aminooxybutanoate
SMILESNOCCCC(=O)OC1CCCC1
InChIInChI=1S/C9H17NO3/c10-12-7-3-6-9(11)13-8-4-1-2-5-8/h8H,1-7,10H2
InChIKeyQWCYRFFOUNYINS-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.14
Rot. Bonds5

About cyclopentyl 4-aminooxybutanoate

cyclopentyl 4-aminooxybutanoate (PubChem CID 145423732) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is cyclopentyl 4-aminooxybutanoate.

Molecular Properties

Compound Namecyclopentyl 4-aminooxybutanoate
PubChem CID145423732
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namecyclopentyl 4-aminooxybutanoate
SMILESNOCCCC(=O)OC1CCCC1
InChIInChI=1S/C9H17NO3/c10-12-7-3-6-9(11)13-8-4-1-2-5-8/h8H,1-7,10H2
InChIKeyQWCYRFFOUNYINS-UHFFFAOYSA-N
XLogP1.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl pentanedioate
CID 15593941
cyclooctyl 7-aminoheptanoate
CID 21259475
cyclopentyl 6-bromohexanoate
CID 550489
cyclobutyl 4-bromobutanoate
CID 591081
cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclopentadecyl 8-bromooctanoate
CID 171623648
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 6-cyclohexyloxy-6-sulfanylidenehexanoate
CID 155253391
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121470128
cyclohexyl 6-propoxyhexanoate
CID 134561647

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-aminooxybutanoate?
The IUPAC name of cyclopentyl 4-aminooxybutanoate (CID 145423732) is cyclopentyl 4-aminooxybutanoate.
What is the SMILES notation for cyclopentyl 4-aminooxybutanoate?
The canonical SMILES for cyclopentyl 4-aminooxybutanoate is NOCCCC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-aminooxybutanoate?
The InChIKey is QWCYRFFOUNYINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-12-7-3-6-9(11)13-8-4-1-2-5-8/h8H,1-7,10H2.
What are the key properties of cyclopentyl 4-aminooxybutanoate?
cyclopentyl 4-aminooxybutanoate has a molecular weight of 187.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-aminooxybutanoate is sourced from PubChem (CID 145423732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).