2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid

C14H25NO4 — CID 79893966

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC2(CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-2-3-12(13(16)17)15-11-4-7-19-14(10-11)5-8-18-9-6-14/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyWAPVYMBYLFDDFJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.56
Rot. Bonds5

About 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid

2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid (PubChem CID 79893966) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid
PubChem CID79893966
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid
SMILESCCCC(NC1CCOC2(CCOCC2)C1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-2-3-12(13(16)17)15-11-4-7-19-14(10-11)5-8-18-9-6-14/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyWAPVYMBYLFDDFJ-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid (CID 79893966) is 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid is CCCC(NC1CCOC2(CCOCC2)C1)C(=O)O.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid?
The InChIKey is WAPVYMBYLFDDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-3-12(13(16)17)15-11-4-7-19-14(10-11)5-8-18-9-6-14/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid?
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid is sourced from PubChem (CID 79893966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).