(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 11058369

IUPAC(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESC=CC(C)(C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-6-15(4,5)16-12(10(2)3)13(18)17-9-7-8-11(17)14(19)20/h6,10-12,16H,1,7-9H2,2-5H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyCNNPLADTJSEBQZ-RYUDHWBXSA-N
MW282.38 g/mol
LogP1.64
Rot. Bonds6

About (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 11058369) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID11058369
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
SMILESC=CC(C)(C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O3/c1-6-15(4,5)16-12(10(2)3)13(18)17-9-7-8-11(17)14(19)20/h6,10-12,16H,1,7-9H2,2-5H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyCNNPLADTJSEBQZ-RYUDHWBXSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid (CID 11058369) is (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid is C=CC(C)(C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C.
What is the InChIKey of (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CNNPLADTJSEBQZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-15(4,5)16-12(10(2)3)13(18)17-9-7-8-11(17)14(19)20/h6,10-12,16H,1,7-9H2,2-5H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11058369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).