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

C11H19N3O4 — CID 63719717

IUPAC4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7-4-14(5-8(7)10(16)17)11(18)13(3)6-9(15)12-2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyYIYBTXVPIKACNM-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.56
Rot. Bonds3

About 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63719717) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63719717
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCNC(=O)CN(C)C(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-7-4-14(5-8(7)10(16)17)11(18)13(3)6-9(15)12-2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyYIYBTXVPIKACNM-UHFFFAOYSA-N
XLogP-0.56
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720389
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
(3S,4S)-4-methyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085867
(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[cyclohexylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721123
4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721852
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 79181416
(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085905
1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720946
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719541

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 63719717) is 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid is CNC(=O)CN(C)C(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YIYBTXVPIKACNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7-4-14(5-8(7)10(16)17)11(18)13(3)6-9(15)12-2/h7-8H,4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).