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

C8H11NO2 — CID 88710869

IUPAC(2S)-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-/m0/s1
InChIKeyQXUSFQCJGVVVJR-MLWJPKLSSA-N
MW153.18 g/mol
LogP0.07
Rot. Bonds2

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

(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid (PubChem CID 88710869) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
PubChem CID88710869
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-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-/m0/s1
InChIKeyQXUSFQCJGVVVJR-MLWJPKLSSA-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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Related Compounds

(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 118274051
(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
CID 11643959
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
CID 69349870
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid
CID 158746834

Frequently Asked Questions

What is the IUPAC name of (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid (CID 88710869) is (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid is C#CCC1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is QXUSFQCJGVVVJR-MLWJPKLSSA-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-/m0/s1.
What are the key properties of (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid?
(2S)-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 (2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 88710869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).