6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid

C8H8ClNO3 — CID 83908433

IUPAC6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(Cl)oc21
InChIInChI=1S/C8H8ClNO3/c9-5-3-4-1-2-8(10,7(11)12)6(4)13-5/h3H,1-2,10H2,(H,11,12)
InChIKeyMMUVSSOZXCLMDE-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.12
Rot. Bonds1

About 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid

6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid (PubChem CID 83908433) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
PubChem CID83908433
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
SMILESNC1(C(=O)O)CCc2cc(Cl)oc21
InChIInChI=1S/C8H8ClNO3/c9-5-3-4-1-2-8(10,7(11)12)6(4)13-5/h3H,1-2,10H2,(H,11,12)
InChIKeyMMUVSSOZXCLMDE-UHFFFAOYSA-N
XLogP1.12
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The IUPAC name of 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid (CID 83908433) is 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid.
What is the SMILES notation for 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The canonical SMILES for 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid is NC1(C(=O)O)CCc2cc(Cl)oc21.
What is the InChIKey of 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
The InChIKey is MMUVSSOZXCLMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-5-3-4-1-2-8(10,7(11)12)6(4)13-5/h3H,1-2,10H2,(H,11,12).
What are the key properties of 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid?
6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid has a molecular weight of 201.61 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid is sourced from PubChem (CID 83908433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).