1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C13H21N3O4 — CID 106743936

IUPAC1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H21N3O4/c1-8-7-9(12(18)19)4-6-15(8)13(20)16-5-2-3-10(16)11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyVZSGPJNBMWIQHM-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.24
Rot. Bonds2

About 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743936) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106743936
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C13H21N3O4/c1-8-7-9(12(18)19)4-6-15(8)13(20)16-5-2-3-10(16)11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19)
InChIKeyVZSGPJNBMWIQHM-UHFFFAOYSA-N
XLogP0.24
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744572
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741731
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
4-(2-carbamoylpiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991584
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106743936) is 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is VZSGPJNBMWIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-8-7-9(12(18)19)4-6-15(8)13(20)16-5-2-3-10(16)11(14)17/h8-10H,2-7H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).