(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid

C12H19N3O4 — CID 78922595

IUPAC(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-13-10(16)8-4-2-6-14(8)12(19)15-7-3-5-9(15)11(17)18/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)/t8?,9-/m1/s1
InChIKeyQQIYLPSAGGZGER-YGPZHTELSA-N
MW269.30 g/mol
LogP-0.13
Rot. Bonds2

About (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922595) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID78922595
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCNC(=O)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C12H19N3O4/c1-13-10(16)8-4-2-6-14(8)12(19)15-7-3-5-9(15)11(17)18/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)/t8?,9-/m1/s1
InChIKeyQQIYLPSAGGZGER-YGPZHTELSA-N
XLogP-0.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
CID 107071491
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103978471
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
4-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
CID 63124071
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid (CID 78922595) is (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid is CNC(=O)C1CCCN1C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QQIYLPSAGGZGER-YGPZHTELSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-13-10(16)8-4-2-6-14(8)12(19)15-7-3-5-9(15)11(17)18/h8-9H,2-7H2,1H3,(H,13,16)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).