(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid

C8H16N2O2 — CID 123824337

IUPAC(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)C[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H16N2O2/c1-10(2)6-8(7(11)12)4-3-5-9-8/h9H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyQISQCNWWLLMROC-MRVPVSSYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds3

About (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid

(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 123824337) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid
PubChem CID123824337
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid
SMILESCN(C)C[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C8H16N2O2/c1-10(2)6-8(7(11)12)4-3-5-9-8/h9H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyQISQCNWWLLMROC-MRVPVSSYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid (CID 123824337) is (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid is CN(C)C[C@@]1(C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QISQCNWWLLMROC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)6-8(7(11)12)4-3-5-9-8/h9H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid?
(2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(dimethylamino)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 123824337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).