(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C11H17N3O4 — CID 78946545

IUPAC(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-7-9(15)12-4-6-13(7)11(18)14-5-2-3-8(14)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyXBIBUGMGDIBGHS-MQWKRIRWSA-N
MW255.27 g/mol
LogP-0.52
Rot. Bonds1

About (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78946545) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78946545
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H17N3O4/c1-7-9(15)12-4-6-13(7)11(18)14-5-2-3-8(14)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)/t7?,8-/m0/s1
InChIKeyXBIBUGMGDIBGHS-MQWKRIRWSA-N
XLogP-0.52
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3-oxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890201
(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946615
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
3-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63774708
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 65319939

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78946545) is (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XBIBUGMGDIBGHS-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-9(15)12-4-6-13(7)11(18)14-5-2-3-8(14)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).