1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid

C13H20N2O4 — CID 55135653

IUPAC1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C1CCN(C(=O)CC2(C(=O)O)CCCC2)CCN1
InChIInChI=1S/C13H20N2O4/c16-10-3-7-15(8-6-14-10)11(17)9-13(12(18)19)4-1-2-5-13/h1-9H2,(H,14,16)(H,18,19)
InChIKeyIQSUFXCMPYBWDI-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds3

About 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 55135653) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID55135653
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C1CCN(C(=O)CC2(C(=O)O)CCCC2)CCN1
InChIInChI=1S/C13H20N2O4/c16-10-3-7-15(8-6-14-10)11(17)9-13(12(18)19)4-1-2-5-13/h1-9H2,(H,14,16)(H,18,19)
InChIKeyIQSUFXCMPYBWDI-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminocyclohexanecarbonyl)-1,4-diazepan-5-one
CID 63003205
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
1-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63160394
1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
CID 62046426
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
1-(5-oxo-1,4-diazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 63002706
1-[2-(4-phenylphenyl)acetyl]-1,4-diazepan-5-one
CID 71943621
1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739
1-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-5-one
CID 62045065
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
CID 81079124

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid (CID 55135653) is 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid is O=C1CCN(C(=O)CC2(C(=O)O)CCCC2)CCN1.
What is the InChIKey of 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IQSUFXCMPYBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-10-3-7-15(8-6-14-10)11(17)9-13(12(18)19)4-1-2-5-13/h1-9H2,(H,14,16)(H,18,19).
What are the key properties of 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55135653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).