2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid

C11H19NO4 — CID 79893814

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid
SMILESCC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(10(13)14)12-9-2-4-16-11(6-9)3-5-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCYCIIVCKTBNFSQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.39
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid (PubChem CID 79893814) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid
PubChem CID79893814
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid
SMILESCC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-8(10(13)14)12-9-2-4-16-11(6-9)3-5-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCYCIIVCKTBNFSQ-UHFFFAOYSA-N
XLogP0.39
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79901159
2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79901458
2-[(2-Ethyl-2-methyloxan-4-yl)amino]propanoic acid
CID 64101043
3-[Tert-butyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79893671
4-[2,6-Dioxaspiro[4.5]decan-9-yl(methyl)amino]butanoic acid
CID 79893676
2-[Carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79893684
1-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)cyclopropane-1-carboxylic acid
CID 79893688
2-(6-Oxaspiro[4.5]decan-9-ylamino)propanoic acid
CID 79893740
2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)propanoic acid
CID 79893741
1-(2,6-Dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
CID 79893762
3-[2,6-Dioxaspiro[4.5]decan-9-yl(methyl)amino]propanoic acid
CID 79893821
3-[2,6-Dioxaspiro[4.5]decan-9-yl(ethyl)amino]propanoic acid
CID 79893823

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid (CID 79893814) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid is CC(NC1CCOC2(CCOC2)C1)C(=O)O.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid?
The InChIKey is CYCIIVCKTBNFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(10(13)14)12-9-2-4-16-11(6-9)3-5-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)propanoic acid is sourced from PubChem (CID 79893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).