(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H21N3O3 — CID 78922873

IUPAC(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c1-14-7-4-9(5-8-14)13-12(18)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyGATNGNRGIALPPL-SNVBAGLBSA-N
MW255.32 g/mol
LogP0.34
Rot. Bonds2

About (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922873) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922873
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c1-14-7-4-9(5-8-14)13-12(18)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyGATNGNRGIALPPL-SNVBAGLBSA-N
XLogP0.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2S)-1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201651
1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201455
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186326
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923190
1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
CID 61402855
(2R)-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64667644

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78922873) is (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CN1CCC(NC(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GATNGNRGIALPPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14-7-4-9(5-8-14)13-12(18)15-6-2-3-10(15)11(16)17/h9-10H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).