(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid

C6H10N2O3 — CID 112757650

IUPAC(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
SMILESNC(=O)[C@H]1CC[C@H](C(=O)O)N1
InChIInChI=1S/C6H10N2O3/c7-5(9)3-1-2-4(8-3)6(10)11/h3-4,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyIMPWVKCLUHMJPY-QWWZWVQMSA-N
MW158.16 g/mol
LogP-1.32
Rot. Bonds2

About (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid

(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid (PubChem CID 112757650) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
PubChem CID112757650
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
SMILESNC(=O)[C@H]1CC[C@H](C(=O)O)N1
InChIInChI=1S/C6H10N2O3/c7-5(9)3-1-2-4(8-3)6(10)11/h3-4,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyIMPWVKCLUHMJPY-QWWZWVQMSA-N
XLogP-1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid (CID 112757650) is (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid is NC(=O)[C@H]1CC[C@H](C(=O)O)N1.
What is the InChIKey of (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid?
The InChIKey is IMPWVKCLUHMJPY-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-5(9)3-1-2-4(8-3)6(10)11/h3-4,8H,1-2H2,(H2,7,9)(H,10,11)/t3-,4-/m1/s1.
What are the key properties of (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid?
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).