(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid

C8H11NO2 — CID 118274051

IUPAC(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCC1CN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6?,7-/m1/s1
InChIKeyQXUSFQCJGVVVJR-COBSHVIPSA-N
MW153.18 g/mol
LogP0.07
Rot. Bonds2

About (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid

(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid (PubChem CID 118274051) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
PubChem CID118274051
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCC1CN[C@@H](C(=O)O)C1
InChIInChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6?,7-/m1/s1
InChIKeyQXUSFQCJGVVVJR-COBSHVIPSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
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 (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid (CID 118274051) is (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid is C#CCC1CN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is QXUSFQCJGVVVJR-COBSHVIPSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118274051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).