2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H13NO5 — CID 64813057

IUPAC2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(=O)oc1
InChIInChI=1S/C12H13NO5/c14-10-5-4-7(6-18-10)11(15)13-9-3-1-2-8(9)12(16)17/h4-6,8-9H,1-3H2,(H,13,15)(H,16,17)
InChIKeyBFMNBWMDPGDTPR-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.62
Rot. Bonds3

About 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813057) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813057
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(=O)oc1
InChIInChI=1S/C12H13NO5/c14-10-5-4-7(6-18-10)11(15)13-9-3-1-2-8(9)12(16)17/h4-6,8-9H,1-3H2,(H,13,15)(H,16,17)
InChIKeyBFMNBWMDPGDTPR-UHFFFAOYSA-N
XLogP0.62
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid 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 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813057) is 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccc(=O)oc1.
What is the InChIKey of 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BFMNBWMDPGDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10-5-4-7(6-18-10)11(15)13-9-3-1-2-8(9)12(16)17/h4-6,8-9H,1-3H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).