3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid

C11H12O3 — CID 57371018

IUPAC3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid
SMILESO=C(O)CCC1OCC=C2C=CC=C21
InChIInChI=1S/C11H12O3/c12-11(13)5-4-10-9-3-1-2-8(9)6-7-14-10/h1-3,6,10H,4-5,7H2,(H,12,13)
InChIKeyDUXALUDBVVZNDS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds3

About 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid

3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid (PubChem CID 57371018) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid
PubChem CID57371018
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid
SMILESO=C(O)CCC1OCC=C2C=CC=C21
InChIInChI=1S/C11H12O3/c12-11(13)5-4-10-9-3-1-2-8(9)6-7-14-10/h1-3,6,10H,4-5,7H2,(H,12,13)
InChIKeyDUXALUDBVVZNDS-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid?
The IUPAC name of 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid (CID 57371018) is 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid.
What is the SMILES notation for 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid?
The canonical SMILES for 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid is O=C(O)CCC1OCC=C2C=CC=C21.
What is the InChIKey of 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid?
The InChIKey is DUXALUDBVVZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)5-4-10-9-3-1-2-8(9)6-7-14-10/h1-3,6,10H,4-5,7H2,(H,12,13).
What are the key properties of 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid?
3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid has a molecular weight of 192.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydrocyclopenta[c]pyran-1-yl)propanoic acid is sourced from PubChem (CID 57371018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).