5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 117416809

IUPAC5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1
InChIInChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18)
InChIKeyNRNGFCNVVHSSFO-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.89
Rot. Bonds2

About 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid

5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117416809) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
PubChem CID117416809
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1
InChIInChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18)
InChIKeyNRNGFCNVVHSSFO-UHFFFAOYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic 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

5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117326291
5-(2-chloro-3,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117408913
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
CID 117375436
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817
5-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid
CID 117494343
5-(6-fluoro-2-methoxy-3-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117385648
5-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 117485840
5-(4-carboxy-2,3,5,6-tetrafluorophenyl)pyrrolidine-3-carboxylic acid
CID 117492218
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine-3-carboxylic acid
CID 117455989
5-[2,6-difluoro-3-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117430658
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid (CID 117416809) is 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2c(F)ccc3c2OCCC3)C1.
What is the InChIKey of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NRNGFCNVVHSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-10-4-3-8-2-1-5-19-13(8)12(10)11-6-9(7-16-11)14(17)18/h3-4,9,11,16H,1-2,5-7H2,(H,17,18).
What are the key properties of 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid?
5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117416809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).