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

C11H16N2O4 — CID 110284344

IUPAC2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-12-4-5-13(10(16)7-2-3-7)8(11(12)17)6-9(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyHKPOHTVKAUDEST-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.46
Rot. Bonds3

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

2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284344) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284344
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-12-4-5-13(10(16)7-2-3-7)8(11(12)17)6-9(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyHKPOHTVKAUDEST-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
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-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
2-[1-(cyclobutanecarbonyl)-4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284364
2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284430
2-[1-(cyclobutanecarbonyl)-4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284376
2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 125004408
2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
CID 19094652

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid (CID 110284344) is 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid is CN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is HKPOHTVKAUDEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-4-5-13(10(16)7-2-3-7)8(11(12)17)6-9(14)15/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).