1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H18N2O5 — CID 61199018

IUPAC1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O5/c1-19-11(17)9-5-3-7-14(9)12(18)13-6-2-4-8(13)10(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyJUFHIHSWQNURMN-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.29
Rot. Bonds2

About 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61199018) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61199018
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O5/c1-19-11(17)9-5-3-7-14(9)12(18)13-6-2-4-8(13)10(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyJUFHIHSWQNURMN-UHFFFAOYSA-N
XLogP0.29
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923051
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;methane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 144826606
1-(3-methoxycarbonylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 115535285
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
3-(2-methoxycarbonylpiperidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 115535110
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
(E)-4-(2-methoxycarbonylpyrrolidin-1-yl)-4-oxobut-2-enoic acid
CID 60953999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 61199018) is 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is COC(=O)C1CCCN1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JUFHIHSWQNURMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-19-11(17)9-5-3-7-14(9)12(18)13-6-2-4-8(13)10(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61199018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).