2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

C17H29NO3 — CID 102899148

IUPAC2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C17H29NO3/c19-16(20)13-18(14-6-2-3-7-14)12-15-8-11-17(21-15)9-4-1-5-10-17/h14-15H,1-13H2,(H,19,20)
InChIKeyWGPJHAYMYPMILF-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.20
Rot. Bonds5

About 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid

2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (PubChem CID 102899148) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
PubChem CID102899148
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CCC2(CCCCC2)O1)C1CCCC1
InChIInChI=1S/C17H29NO3/c19-16(20)13-18(14-6-2-3-7-14)12-15-8-11-17(21-15)9-4-1-5-10-17/h14-15H,1-13H2,(H,19,20)
InChIKeyWGPJHAYMYPMILF-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.20
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[4.5]decan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid (CID 102899148) is 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid is O=C(O)CN(CC1CCC2(CCCCC2)O1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
The InChIKey is WGPJHAYMYPMILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(20)13-18(14-6-2-3-7-14)12-15-8-11-17(21-15)9-4-1-5-10-17/h14-15H,1-13H2,(H,19,20).
What are the key properties of 2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid?
2-[cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.20, 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[4.5]decan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 102899148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).