(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid

C10H17NO2 — CID 141198595

IUPAC(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)CC[C@@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h8-9,11H,1,3-6H2,2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyBCWUBKYLOUDKNZ-BDAKNGLRSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds4

About (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid

(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid (PubChem CID 141198595) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid
PubChem CID141198595
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)CC[C@@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h8-9,11H,1,3-6H2,2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyBCWUBKYLOUDKNZ-BDAKNGLRSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 14482018
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
CID 155124572
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S,3S)-3-(2-ethylbutyl)pyrrolidine-2-carboxylic acid
CID 129354189
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid (CID 141198595) is (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid is C=C(C)CC[C@@H]1CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BCWUBKYLOUDKNZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)3-4-8-5-6-11-9(8)10(12)13/h8-9,11H,1,3-6H2,2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid?
(2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3-methylbut-3-enyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141198595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).