(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

C19H19NO6 — CID 6352291

IUPAC(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C19H19NO6/c21-17(20-8-2-5-15(20)18(22)23)10-25-11-6-7-13-12-3-1-4-14(12)19(24)26-16(13)9-11/h6-7,9,15H,1-5,8,10H2,(H,22,23)/t15-/m0/s1
InChIKeyQDLJHWPBPAZKHV-HNNXBMFYSA-N
MW357.36 g/mol
LogP1.74
Rot. Bonds4

About (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 6352291) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID6352291
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C19H19NO6/c21-17(20-8-2-5-15(20)18(22)23)10-25-11-6-7-13-12-3-1-4-14(12)19(24)26-16(13)9-11/h6-7,9,15H,1-5,8,10H2,(H,22,23)/t15-/m0/s1
InChIKeyQDLJHWPBPAZKHV-HNNXBMFYSA-N
XLogP1.74
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid (CID 6352291) is (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3.
What is the InChIKey of (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QDLJHWPBPAZKHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO6/c21-17(20-8-2-5-15(20)18(22)23)10-25-11-6-7-13-12-3-1-4-14(12)19(24)26-16(13)9-11/h6-7,9,15H,1-5,8,10H2,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 357.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 6352291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).