(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid

C6H10N2O3 — CID 131215833

IUPAC(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)NCC1=O
InChIInChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)7-2-5(8)9/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyMCOANTBSWLGVEX-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.50
Rot. Bonds1

About (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid

(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid (PubChem CID 131215833) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid
PubChem CID131215833
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)NCC1=O
InChIInChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)7-2-5(8)9/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyMCOANTBSWLGVEX-BYPYZUCNSA-N
XLogP-1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride
CID 166640271
(5R)-5-ethynyl-1-methylpiperazin-2-one
CID 155330254
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84657825
5-benzyl-1-methylpiperazin-2-one
CID 44630649
4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
CID 138050957
5-butyl-1-methylpiperazin-2-one
CID 44630633
(2S)-5-hydroxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 139563474
(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 22823002
(4R)-1,1-dioxo-1,3-thiazolidine-4-carboxylic acid
CID 127031255
1-methyl-5-(1H-pyrrol-3-yl)piperazin-2-one
CID 83696039

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid (CID 131215833) is (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid is CN1C[C@@H](C(=O)O)NCC1=O.
What is the InChIKey of (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MCOANTBSWLGVEX-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-8-3-4(6(10)11)7-2-5(8)9/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid?
(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 131215833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).