1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid

C12H19NO4 — CID 79893762

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C12H19NO4/c14-10(15)12(2-3-12)13-9-1-5-17-11(7-9)4-6-16-8-11/h9,13H,1-8H2,(H,14,15)
InChIKeyLOXAKKDFHDECNI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.53
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid

1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid (PubChem CID 79893762) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
PubChem CID79893762
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C12H19NO4/c14-10(15)12(2-3-12)13-9-1-5-17-11(7-9)4-6-16-8-11/h9,13H,1-8H2,(H,14,15)
InChIKeyLOXAKKDFHDECNI-UHFFFAOYSA-N
XLogP0.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79901458
2-(Cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoic acid
CID 63556904
2-[Carboxymethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79893684
1-(6-Oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
CID 79893687
1-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)cyclopropane-1-carboxylic acid
CID 79893688
2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)propanoic acid
CID 79893741
2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)propanoic acid
CID 79893814
2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-2-methylpropanoic acid
CID 79893836
2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
2-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)pentanoic acid
CID 79893966
2-[2,6-Dioxaspiro[4.5]decan-9-yl(ethyl)amino]-2-methylpropanoic acid
CID 79893977
2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)pentanoic acid
CID 79894043

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid (CID 79893762) is 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid is O=C(O)C1(NC2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The InChIKey is LOXAKKDFHDECNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10(15)12(2-3-12)13-9-1-5-17-11(7-9)4-6-16-8-11/h9,13H,1-8H2,(H,14,15).
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79893762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).