1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 106983885

IUPAC1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-9(2)14(12(19)20)4-6-16(8-14)13(21)17-7-5-15-11(18)10(17)3/h9-10H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyOBVYPXIXCUSXAQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.36
Rot. Bonds2

About 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983885) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983885
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-9(2)14(12(19)20)4-6-16(8-14)13(21)17-7-5-15-11(18)10(17)3/h9-10H,4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyOBVYPXIXCUSXAQ-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63607820
4-ethyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 63607667
3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
CID 106980684
2-[3-methyl-1-(2-methyl-3-oxopiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658909
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983873
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983885) is 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC1C(=O)NCCN1C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is OBVYPXIXCUSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(2)14(12(19)20)4-6-16(8-14)13(21)17-7-5-15-11(18)10(17)3/h9-10H,4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).