methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate

C9H13NO4 — CID 14562926

IUPACmethyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate
SMILESCOC(=O)C1C(N)CC2OC(=O)CC21
InChIInChI=1S/C9H13NO4/c1-13-9(12)8-4-2-7(11)14-6(4)3-5(8)10/h4-6,8H,2-3,10H2,1H3
InChIKeyUTOOXHUKMQMAAH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.56
Rot. Bonds1

About methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate

methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate (PubChem CID 14562926) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate
PubChem CID14562926
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate
SMILESCOC(=O)C1C(N)CC2OC(=O)CC21
InChIInChI=1S/C9H13NO4/c1-13-9(12)8-4-2-7(11)14-6(4)3-5(8)10/h4-6,8H,2-3,10H2,1H3
InChIKeyUTOOXHUKMQMAAH-UHFFFAOYSA-N
XLogP-0.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate?
The IUPAC name of methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate (CID 14562926) is methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate is COC(=O)C1C(N)CC2OC(=O)CC21.
What is the InChIKey of methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate?
The InChIKey is UTOOXHUKMQMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-13-9(12)8-4-2-7(11)14-6(4)3-5(8)10/h4-6,8H,2-3,10H2,1H3.
What are the key properties of methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate?
methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate is sourced from PubChem (CID 14562926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).