2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid

C12H19NO5 — CID 79905611

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H19NO5/c14-8-13-10(11(15)16)9-1-4-18-12(7-9)2-5-17-6-3-12/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyUMCNPTBHFVGZHW-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.16
Rot. Bonds4

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid (PubChem CID 79905611) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid
PubChem CID79905611
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H19NO5/c14-8-13-10(11(15)16)9-1-4-18-12(7-9)2-5-17-6-3-12/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyUMCNPTBHFVGZHW-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpropanoic acid
CID 81009039
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
CID 81167826
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid (CID 79905611) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid is O=CNC(C(=O)O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid?
The InChIKey is UMCNPTBHFVGZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-8-13-10(11(15)16)9-1-4-18-12(7-9)2-5-17-6-3-12/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid has a molecular weight of 257.29 g/mol, XLogP of 0.16, 4 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-yl)-2-formamidoacetic acid is sourced from PubChem (CID 79905611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).