2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid

C10H16N2O2 — CID 23179516

IUPAC2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC#CC1CCCN1C(=O)O
InChIInChI=1S/C10H16N2O2/c1-11(2)7-3-5-9-6-4-8-12(9)10(13)14/h9H,4,6-8H2,1-2H3,(H,13,14)
InChIKeyXTLAGKXGURPHAL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds1

About 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid

2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid (PubChem CID 23179516) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid
PubChem CID23179516
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid
SMILESCN(C)CC#CC1CCCN1C(=O)O
InChIInChI=1S/C10H16N2O2/c1-11(2)7-3-5-9-6-4-8-12(9)10(13)14/h9H,4,6-8H2,1-2H3,(H,13,14)
InChIKeyXTLAGKXGURPHAL-UHFFFAOYSA-N
XLogP0.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid (CID 23179516) is 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid is CN(C)CC#CC1CCCN1C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XTLAGKXGURPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11(2)7-3-5-9-6-4-8-12(9)10(13)14/h9H,4,6-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid?
2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 23179516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).