3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid

C9H14N2O2 — CID 155144937

IUPAC3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid
SMILESCC(C#N)CC1CCN(C(=O)O)C1
InChIInChI=1S/C9H14N2O2/c1-7(5-10)4-8-2-3-11(6-8)9(12)13/h7-8H,2-4,6H2,1H3,(H,12,13)
InChIKeyNPRZSAOUNYFEGO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.54
Rot. Bonds2

About 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid

3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid (PubChem CID 155144937) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid
PubChem CID155144937
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid
SMILESCC(C#N)CC1CCN(C(=O)O)C1
InChIInChI=1S/C9H14N2O2/c1-7(5-10)4-8-2-3-11(6-8)9(12)13/h7-8H,2-4,6H2,1H3,(H,12,13)
InChIKeyNPRZSAOUNYFEGO-UHFFFAOYSA-N
XLogP1.54
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid (CID 155144937) is 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid is CC(C#N)CC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid?
The InChIKey is NPRZSAOUNYFEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(5-10)4-8-2-3-11(6-8)9(12)13/h7-8H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid?
3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-cyanopropyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155144937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).