(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate

C8H11NO5 — CID 141094853

IUPAC(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate
SMILESCC1=C(COC(N)=O)C(O)C(=O)C1O
InChIInChI=1S/C8H11NO5/c1-3-4(2-14-8(9)13)6(11)7(12)5(3)10/h5-6,10-11H,2H2,1H3,(H2,9,13)
InChIKeyWETGKOVIBBDWPJ-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.30
Rot. Bonds2

About (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate

(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate (PubChem CID 141094853) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate.

Molecular Properties

Compound Name(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate
PubChem CID141094853
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate
SMILESCC1=C(COC(N)=O)C(O)C(=O)C1O
InChIInChI=1S/C8H11NO5/c1-3-4(2-14-8(9)13)6(11)7(12)5(3)10/h5-6,10-11H,2H2,1H3,(H2,9,13)
InChIKeyWETGKOVIBBDWPJ-UHFFFAOYSA-N
XLogP-1.30
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate?
The IUPAC name of (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate (CID 141094853) is (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate.
What is the SMILES notation for (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate?
The canonical SMILES for (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate is CC1=C(COC(N)=O)C(O)C(=O)C1O.
What is the InChIKey of (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate?
The InChIKey is WETGKOVIBBDWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-3-4(2-14-8(9)13)6(11)7(12)5(3)10/h5-6,10-11H,2H2,1H3,(H2,9,13).
What are the key properties of (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate?
(3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate has a molecular weight of 201.18 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxy-2-methyl-4-oxocyclopenten-1-yl)methyl carbamate is sourced from PubChem (CID 141094853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).