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

C12H13NO5 — CID 66030915

IUPAC3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccc(=O)oc1
InChIInChI=1S/C12H13NO5/c14-10-4-2-8(6-18-10)11(15)13-9-3-1-7(5-9)12(16)17/h2,4,6-7,9H,1,3,5H2,(H,13,15)(H,16,17)
InChIKeyWOQDGHQRSFJZQC-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.62
Rot. Bonds3

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

3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030915) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030915
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccc(=O)oc1
InChIInChI=1S/C12H13NO5/c14-10-4-2-8(6-18-10)11(15)13-9-3-1-7(5-9)12(16)17/h2,4,6-7,9H,1,3,5H2,(H,13,15)(H,16,17)
InChIKeyWOQDGHQRSFJZQC-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

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Related Compounds

4-[(6-Oxopyran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808047
3-[(6-Oxopyran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044004
4-Ethyl-6-[(6-oxopyran-3-carbonyl)amino]hexanoic acid
CID 64350205
4-Methyl-6-[(6-oxopyran-3-carbonyl)amino]hexanoic acid
CID 64366718
2-[(6-Oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813057
5-Methyl-3-[[(6-oxopyran-3-carbonyl)amino]methyl]hexanoic acid
CID 65492057
(3S)-5-methyl-3-[[(6-oxopyran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494099
2-[[(6-Oxopyran-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 65896821
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031726
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032498
4-[(6-Oxopyran-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210074
4-Methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid
CID 82010358

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030915) is 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1ccc(=O)oc1.
What is the InChIKey of 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WOQDGHQRSFJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c14-10-4-2-8(6-18-10)11(15)13-9-3-1-7(5-9)12(16)17/h2,4,6-7,9H,1,3,5H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(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 3-[(6-oxopyran-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).