3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid

C14H23N3O4 — CID 107071491

IUPAC3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-5-3-8-17(11(9)13(19)20)14(21)16-7-4-6-10(16)12(18)15-2/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyXNUWEQBMWLHUTR-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.50
Rot. Bonds2

About 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid

3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid (PubChem CID 107071491) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
PubChem CID107071491
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-5-3-8-17(11(9)13(19)20)14(21)16-7-4-6-10(16)12(18)15-2/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyXNUWEQBMWLHUTR-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103978471
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
N-methyl-1-(4-methylpiperidine-1-carbonyl)piperidine-2-carboxamide
CID 116654881
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
CID 63124071
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid (CID 107071491) is 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid is CNC(=O)C1CCCN1C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is XNUWEQBMWLHUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-5-3-8-17(11(9)13(19)20)14(21)16-7-4-6-10(16)12(18)15-2/h9-11H,3-8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).