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

C12H19N3O4 — CID 78946615

IUPAC(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-12(2)10(18)13-5-7-15(12)11(19)14-6-3-4-8(14)9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKeyOUOVFDZCJAVASV-QMMMGPOBSA-N
MW269.30 g/mol
LogP-0.13
Rot. Bonds1

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

(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78946615) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78946615
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-12(2)10(18)13-5-7-15(12)11(19)14-6-3-4-8(14)9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKeyOUOVFDZCJAVASV-QMMMGPOBSA-N
XLogP-0.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63218947
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 66062800
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
CID 55216131
4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 78946615) is (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C)C(=O)NCCN1C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OUOVFDZCJAVASV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2)10(18)13-5-7-15(12)11(19)14-6-3-4-8(14)9(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78946615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).