2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid

C16H19NO5 — CID 82047459

IUPAC2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESCC(C(=O)O)N1CCC2(CCc3cc4c(cc3O2)OCO4)C1
InChIInChI=1S/C16H19NO5/c1-10(15(18)19)17-5-4-16(8-17)3-2-11-6-13-14(21-9-20-13)7-12(11)22-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyKPDOAGPOWJGFSH-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.66
Rot. Bonds2

About 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid

2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid (PubChem CID 82047459) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid.

Molecular Properties

Compound Name2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
PubChem CID82047459
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESCC(C(=O)O)N1CCC2(CCc3cc4c(cc3O2)OCO4)C1
InChIInChI=1S/C16H19NO5/c1-10(15(18)19)17-5-4-16(8-17)3-2-11-6-13-14(21-9-20-13)7-12(11)22-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyKPDOAGPOWJGFSH-UHFFFAOYSA-N
XLogP1.66
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047485
2-(6-oxa-2-azaspiro[4.5]decan-2-yl)propanoic acid
CID 121202316
2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)propanoic acid
CID 82582321
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114672412
2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
2-(3-methoxyphenyl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylacetic acid
CID 136557938
(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97274102

Frequently Asked Questions

What is the IUPAC name of 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The IUPAC name of 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid (CID 82047459) is 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid.
What is the SMILES notation for 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The canonical SMILES for 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid is CC(C(=O)O)N1CCC2(CCc3cc4c(cc3O2)OCO4)C1.
What is the InChIKey of 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The InChIKey is KPDOAGPOWJGFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10(15(18)19)17-5-4-16(8-17)3-2-11-6-13-14(21-9-20-13)7-12(11)22-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid is sourced from PubChem (CID 82047459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).