2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid

C13H20N2O4 — CID 110284378

IUPAC2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-7-15(10(13(14)19)8-11(16)17)12(18)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHQSJPXOMECDIMO-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.32
Rot. Bonds3

About 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid

2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284378) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284378
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-14-6-7-15(10(13(14)19)8-11(16)17)12(18)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyHQSJPXOMECDIMO-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284344
2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284379
2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
CID 110284362
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284364
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[1-(cyclobutanecarbonyl)-4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284376
(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 125004408
2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284430
2-[2-(cyclooctanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538376

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid (CID 110284378) is 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid is CN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is HQSJPXOMECDIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-6-7-15(10(13(14)19)8-11(16)17)12(18)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).