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

C9H17N3O2 — CID 11579307

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C9H17N3O2/c1-2-6(10)9(14)12-5-3-4-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)/t6-,7-/m0/s1
InChIKeyJNTYXKIFNYMZLM-BQBZGAKWSA-N
MW199.25 g/mol
LogP-0.80
Rot. Bonds3

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

(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide (PubChem CID 11579307) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide
PubChem CID11579307
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C9H17N3O2/c1-2-6(10)9(14)12-5-3-4-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)/t6-,7-/m0/s1
InChIKeyJNTYXKIFNYMZLM-BQBZGAKWSA-N
XLogP-0.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.80
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]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide (CID 11579307) is (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide is CC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is JNTYXKIFNYMZLM-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-6(10)9(14)12-5-3-4-7(12)8(11)13/h6-7H,2-5,10H2,1H3,(H2,11,13)/t6-,7-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.80, 3 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11579307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).