2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 79383195

IUPAC2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-7-16(9)13(19)14-10-4-3-6-15(2)8-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyNEPZOEPKLKUGMX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds2

About 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383195) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79383195
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NC1CCCN(C)C1
InChIInChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-7-16(9)13(19)14-10-4-3-6-15(2)8-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyNEPZOEPKLKUGMX-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
2-[(1-methylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817105
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
2-methyl-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79383205
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 106191753
2-methyl-N-(1-methylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 79389112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79383195) is 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NC1CCCN(C)C1.
What is the InChIKey of 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NEPZOEPKLKUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-11(12(17)18)5-7-16(9)13(19)14-10-4-3-6-15(2)8-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).