(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide

C13H25N3O2 — CID 11499834

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-4-10(14)13(18)16-7-5-6-11(16)12(17)15-8-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyIJQXRRHHARNIBV-QWRGUYRKSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 11499834) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID11499834
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(C)C
InChIInChI=1S/C13H25N3O2/c1-4-10(14)13(18)16-7-5-6-11(16)12(17)15-8-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyIJQXRRHHARNIBV-QWRGUYRKSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide (CID 11499834) is (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide is CC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(C)C.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is IJQXRRHHARNIBV-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-10(14)13(18)16-7-5-6-11(16)12(17)15-8-9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminobutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11499834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).