(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide

C14H27N3O2 — CID 11615987

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C14H27N3O2/c1-3-5-6-9-16-13(18)12-8-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyDFWCJPNYAWVSTR-RYUDHWBXSA-N
MW269.39 g/mol
LogP1.02
Rot. Bonds7

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

(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide (PubChem CID 11615987) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide
PubChem CID11615987
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C14H27N3O2/c1-3-5-6-9-16-13(18)12-8-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyDFWCJPNYAWVSTR-RYUDHWBXSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide (CID 11615987) is (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide is CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide?
The InChIKey is DFWCJPNYAWVSTR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-6-9-16-13(18)12-8-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-pentylpyrrolidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.02, 7 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-pentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11615987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).