2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid

C15H19NO3 — CID 82485168

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCCO2)N1CCCC1
InChIInChI=1S/C15H19NO3/c17-15(18)14(16-7-1-2-8-16)12-5-6-13-11(10-12)4-3-9-19-13/h5-6,10,14H,1-4,7-9H2,(H,17,18)
InChIKeyZDCYIFYWAUXELH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid

2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 82485168) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID82485168
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
SMILESO=C(O)C(c1ccc2c(c1)CCCO2)N1CCCC1
InChIInChI=1S/C15H19NO3/c17-15(18)14(16-7-1-2-8-16)12-5-6-13-11(10-12)4-3-9-19-13/h5-6,10,14H,1-4,7-9H2,(H,17,18)
InChIKeyZDCYIFYWAUXELH-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiomorpholin-4-ylacetic acid
CID 97191408
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetic acid
CID 97201372
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-piperidin-1-ylethanone chloride
CID 21228902
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)-1-pyrrolidin-1-ylethanone
CID 116851344
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 97188439

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid (CID 82485168) is 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid is O=C(O)C(c1ccc2c(c1)CCCO2)N1CCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is ZDCYIFYWAUXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)14(16-7-1-2-8-16)12-5-6-13-11(10-12)4-3-9-19-13/h5-6,10,14H,1-4,7-9H2,(H,17,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid?
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 82485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).