4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 63720407

IUPAC4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCN(C)C2)CC1C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-3-4-15(2)7-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyRWDWNJGDXXCRME-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.30
Rot. Bonds3

About 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63720407) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63720407
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCN(C)C2)CC1C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-3-4-15(2)7-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyRWDWNJGDXXCRME-UHFFFAOYSA-N
XLogP0.30
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 60855267
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721852
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106326432
(3S,4S)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98539691
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 63720407) is 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCC2CCN(C)C2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RWDWNJGDXXCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-6-16(8-11(9)12(17)18)13(19)14-5-10-3-4-15(2)7-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).