5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid

C14H17NO10 — CID 57267601

IUPAC5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid
SMILESNC1(C(=O)OC(=O)C2OC(C(=O)O)C(C(=O)O)C2C(=O)O)CCCC1
InChIInChI=1S/C14H17NO10/c15-14(3-1-2-4-14)13(23)25-12(22)8-6(10(18)19)5(9(16)17)7(24-8)11(20)21/h5-8H,1-4,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyQVJXGBIIDVMQLD-UHFFFAOYSA-N
MW359.29 g/mol
LogP-1.42
Rot. Bonds5

About 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid

5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid (PubChem CID 57267601) has the molecular formula C14H17NO10 and a molecular weight of 359.29 g/mol. Its IUPAC name is 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid.

Molecular Properties

Compound Name5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid
PubChem CID57267601
Molecular FormulaC14H17NO10
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC Name5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid
SMILESNC1(C(=O)OC(=O)C2OC(C(=O)O)C(C(=O)O)C2C(=O)O)CCCC1
InChIInChI=1S/C14H17NO10/c15-14(3-1-2-4-14)13(23)25-12(22)8-6(10(18)19)5(9(16)17)7(24-8)11(20)21/h5-8H,1-4,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyQVJXGBIIDVMQLD-UHFFFAOYSA-N
XLogP-1.42
TPSA190.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid?
The IUPAC name of 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid (CID 57267601) is 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid.
What is the SMILES notation for 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid?
The canonical SMILES for 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid is NC1(C(=O)OC(=O)C2OC(C(=O)O)C(C(=O)O)C2C(=O)O)CCCC1.
What is the InChIKey of 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid?
The InChIKey is QVJXGBIIDVMQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO10/c15-14(3-1-2-4-14)13(23)25-12(22)8-6(10(18)19)5(9(16)17)7(24-8)11(20)21/h5-8H,1-4,15H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid?
5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid has a molecular weight of 359.29 g/mol, XLogP of -1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid is sourced from PubChem (CID 57267601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).