(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide

C13H25N3O2 — CID 11579736

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10+,11+/m1/s1
InChIKeyVEBCSYAWQCGSMV-VWYCJHECSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds5

About (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 11579736) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide
PubChem CID11579736
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10+,11+/m1/s1
InChIKeyVEBCSYAWQCGSMV-VWYCJHECSA-N
XLogP0.63
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 ≤ 50.63
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-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide (CID 11579736) is (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is VEBCSYAWQCGSMV-VWYCJHECSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-9(3)15-12(17)11-7-6-8-16(11)13(18)10(14)5-2/h9-11H,4-8,14H2,1-3H3,(H,15,17)/t9-,10+,11+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 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-[(2R)-butan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11579736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).