4-(1-aminocyclopropyl)oxane-4-carboxylic acid

C9H15NO3 — CID 82406235

IUPAC4-(1-aminocyclopropyl)oxane-4-carboxylic acid
SMILESNC1(C2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C9H15NO3/c10-9(1-2-9)8(7(11)12)3-5-13-6-4-8/h1-6,10H2,(H,11,12)
InChIKeyFZFGWJFCMGMWJL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.36
Rot. Bonds2

About 4-(1-aminocyclopropyl)oxane-4-carboxylic acid

4-(1-aminocyclopropyl)oxane-4-carboxylic acid (PubChem CID 82406235) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)oxane-4-carboxylic acid
PubChem CID82406235
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(1-aminocyclopropyl)oxane-4-carboxylic acid
SMILESNC1(C2(C(=O)O)CCOCC2)CC1
InChIInChI=1S/C9H15NO3/c10-9(1-2-9)8(7(11)12)3-5-13-6-4-8/h1-6,10H2,(H,11,12)
InChIKeyFZFGWJFCMGMWJL-UHFFFAOYSA-N
XLogP0.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)oxane-4-carboxylic acid?
The IUPAC name of 4-(1-aminocyclopropyl)oxane-4-carboxylic acid (CID 82406235) is 4-(1-aminocyclopropyl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(1-aminocyclopropyl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(1-aminocyclopropyl)oxane-4-carboxylic acid is NC1(C2(C(=O)O)CCOCC2)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)oxane-4-carboxylic acid?
The InChIKey is FZFGWJFCMGMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-9(1-2-9)8(7(11)12)3-5-13-6-4-8/h1-6,10H2,(H,11,12).
What are the key properties of 4-(1-aminocyclopropyl)oxane-4-carboxylic acid?
4-(1-aminocyclopropyl)oxane-4-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)oxane-4-carboxylic acid is sourced from PubChem (CID 82406235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).