2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

C16H27NO3 — CID 102899147

IUPAC2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H27NO3/c18-15(19)12-17(13-5-1-2-6-13)11-14-7-10-16(20-14)8-3-4-9-16/h13-14H,1-12H2,(H,18,19)
InChIKeyUBIVEUYCXHIRSX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds5

About 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid

2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (PubChem CID 102899147) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
PubChem CID102899147
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C16H27NO3/c18-15(19)12-17(13-5-1-2-6-13)11-14-7-10-16(20-14)8-3-4-9-16/h13-14H,1-12H2,(H,18,19)
InChIKeyUBIVEUYCXHIRSX-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid (CID 102899147) is 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is O=C(O)CN(CC1CCC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
The InChIKey is UBIVEUYCXHIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(19)12-17(13-5-1-2-6-13)11-14-7-10-16(20-14)8-3-4-9-16/h13-14H,1-12H2,(H,18,19).
What are the key properties of 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid?
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).