(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid

C8H11NO2 — CID 34180665

IUPAC(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h1,7H,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyYOBBRBOMLUMFMP-ZETCQYMHSA-N
MW153.18 g/mol
LogP0.17
Rot. Bonds2

About (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid

(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid (PubChem CID 34180665) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid
PubChem CID34180665
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid
SMILESC#CCN1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h1,7H,3-6H2,(H,10,11)/t7-/m0/s1
InChIKeyYOBBRBOMLUMFMP-ZETCQYMHSA-N
XLogP0.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
CID 28819925
1-prop-2-ynylazepane-2-carboxylic acid
CID 64563153
(2S)-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 121226761
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone
CID 143198247
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
CID 66737893
CID 66737893
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511

Frequently Asked Questions

What is the IUPAC name of (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid (CID 34180665) is (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid is C#CCN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
The InChIKey is YOBBRBOMLUMFMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h1,7H,3-6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid?
(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 34180665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).