1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 83005184

IUPAC1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NN1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-11(14-15-8-4-1-5-9-15)10-13(12(17)18)6-2-3-7-13/h1-10H2,(H,14,16)(H,17,18)
InChIKeyPQVVVMDOQUVJPX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 83005184) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID83005184
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NN1CCCCC1
InChIInChI=1S/C13H22N2O3/c16-11(14-15-8-4-1-5-9-15)10-13(12(17)18)6-2-3-7-13/h1-10H2,(H,14,16)(H,17,18)
InChIKeyPQVVVMDOQUVJPX-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766
1-[(piperidin-1-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 83019488
CID 89009885
CID 89009885
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid (CID 83005184) is 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NN1CCCCC1.
What is the InChIKey of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PQVVVMDOQUVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-11(14-15-8-4-1-5-9-15)10-13(12(17)18)6-2-3-7-13/h1-10H2,(H,14,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83005184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).