2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid

C11H19N3O4 — CID 79383362

IUPAC2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)CCNC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H19N3O4/c1-7-8(10(16)17)4-6-14(7)11(18)13-5-3-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVIQXREXHQVOOEU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds4

About 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383362) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79383362
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)CCNC(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C11H19N3O4/c1-7-8(10(16)17)4-6-14(7)11(18)13-5-3-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyVIQXREXHQVOOEU-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 83112725
1-[3-(cyclopropylamino)propylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382716
2-methyl-1-[3-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 79372570
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
1-[2-(4-chlorophenyl)ethylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376864
1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102699792
2-methyl-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 79383290
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-[[3-(methylamino)-3-oxopropyl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890046
2-methyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383140
2-methyl-1-(thiolan-2-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 80586452
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 79383362) is 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid is CNC(=O)CCNC(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VIQXREXHQVOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-8(10(16)17)4-6-14(7)11(18)13-5-3-9(15)12-2/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).