1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C11H17N3O4 — CID 114082318

IUPAC1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H17N3O4/c12-9(15)7-1-3-13(5-7)11(18)14-4-2-8(6-14)10(16)17/h7-8H,1-6H2,(H2,12,15)(H,16,17)
InChIKeyNBSMYFNPOMXWLE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.68
Rot. Bonds2

About 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid

1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 114082318) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID114082318
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)C1CCN(C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C11H17N3O4/c12-9(15)7-1-3-13(5-7)11(18)14-4-2-8(6-14)10(16)17/h7-8H,1-6H2,(H2,12,15)(H,16,17)
InChIKeyNBSMYFNPOMXWLE-UHFFFAOYSA-N
XLogP-0.68
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
1-carbamohydrazonoylpyrrolidine-3-carboxylic acid
CID 85054032
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114081812
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744970
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 114082318) is 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid is NC(=O)C1CCN(C(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NBSMYFNPOMXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-9(15)7-1-3-13(5-7)11(18)14-4-2-8(6-14)10(16)17/h7-8H,1-6H2,(H2,12,15)(H,16,17).
What are the key properties of 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114082318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).