(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid

C11H19NO4 — CID 106702805

IUPAC(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H19NO4/c12-9(10(13)14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-/m1/s1
InChIKeyDLURZOFPDRTLEP-YGPZHTELSA-N
MW229.28 g/mol
LogP0.37
Rot. Bonds2

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

(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid (PubChem CID 106702805) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
PubChem CID106702805
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C11H19NO4/c12-9(10(13)14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-/m1/s1
InChIKeyDLURZOFPDRTLEP-YGPZHTELSA-N
XLogP0.37
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-[(8R)-5-oxaspiro[3.5]nonan-8-yl]acetic acid
CID 97050508
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-formamidoacetic acid
CID 79905611
2-amino-2-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 79906414
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid (CID 106702805) is (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid is N[C@@H](C(=O)O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
The InChIKey is DLURZOFPDRTLEP-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19NO4/c12-9(10(13)14)8-1-4-16-11(7-8)2-5-15-6-3-11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid?
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid is sourced from PubChem (CID 106702805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).