2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid

C13H21NO4 — CID 65058158

IUPAC2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c15-12(16)9-14(10-1-2-10)11-3-5-13(6-4-11)17-7-8-18-13/h10-11H,1-9H2,(H,15,16)
InChIKeyBIHOEGULPUDRFZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.22
Rot. Bonds4

About 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid

2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid (PubChem CID 65058158) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid
PubChem CID65058158
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid
SMILESO=C(O)CN(C1CC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H21NO4/c15-12(16)9-14(10-1-2-10)11-3-5-13(6-4-11)17-7-8-18-13/h10-11H,1-9H2,(H,15,16)
InChIKeyBIHOEGULPUDRFZ-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid (CID 65058158) is 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid is O=C(O)CN(C1CC1)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid?
The InChIKey is BIHOEGULPUDRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(16)9-14(10-1-2-10)11-3-5-13(6-4-11)17-7-8-18-13/h10-11H,1-9H2,(H,15,16).
What are the key properties of 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid?
2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]acetic acid is sourced from PubChem (CID 65058158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).