1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid

C10H17NO3 — CID 79648858

IUPAC1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(OC2CCC2)C1
InChIInChI=1S/C10H17NO3/c11-10(9(12)13)5-4-8(6-10)14-7-2-1-3-7/h7-8H,1-6,11H2,(H,12,13)
InChIKeyHNXYPYJUEIHJMP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.89
Rot. Bonds3

About 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid

1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid (PubChem CID 79648858) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid
PubChem CID79648858
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(OC2CCC2)C1
InChIInChI=1S/C10H17NO3/c11-10(9(12)13)5-4-8(6-10)14-7-2-1-3-7/h7-8H,1-6,11H2,(H,12,13)
InChIKeyHNXYPYJUEIHJMP-UHFFFAOYSA-N
XLogP0.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid (CID 79648858) is 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(OC2CCC2)C1.
What is the InChIKey of 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid?
The InChIKey is HNXYPYJUEIHJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-10(9(12)13)5-4-8(6-10)14-7-2-1-3-7/h7-8H,1-6,11H2,(H,12,13).
What are the key properties of 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid?
1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclobutyloxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).