2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid

C14H16N2O5 — CID 62034046

IUPAC2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(O)c(C(=O)N2CCNC(=O)C2CC(=O)O)c1
InChIInChI=1S/C14H16N2O5/c1-8-2-3-11(17)9(6-8)14(21)16-5-4-15-13(20)10(16)7-12(18)19/h2-3,6,10,17H,4-5,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyZAQUXBGBMGSESV-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.12
Rot. Bonds3

About 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 62034046) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID62034046
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(O)c(C(=O)N2CCNC(=O)C2CC(=O)O)c1
InChIInChI=1S/C14H16N2O5/c1-8-2-3-11(17)9(6-8)14(21)16-5-4-15-13(20)10(16)7-12(18)19/h2-3,6,10,17H,4-5,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyZAQUXBGBMGSESV-UHFFFAOYSA-N
XLogP0.12
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 115596375
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790399
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[(2S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 95358156
2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 70714121
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(5-bromothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid (CID 62034046) is 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid is Cc1ccc(O)c(C(=O)N2CCNC(=O)C2CC(=O)O)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is ZAQUXBGBMGSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-2-3-11(17)9(6-8)14(21)16-5-4-15-13(20)10(16)7-12(18)19/h2-3,6,10,17H,4-5,7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 62034046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).