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

C11H21N3O2 — CID 11615534

IUPAC(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H21N3O2/c1-2-3-5-8(12)11(16)14-7-4-6-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)/t8-,9-/m0/s1
InChIKeyAXARLGGBMIBEIZ-IUCAKERBSA-N
MW227.31 g/mol
LogP-0.02
Rot. Bonds5

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

(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide (PubChem CID 11615534) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide
PubChem CID11615534
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide
SMILESCCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C11H21N3O2/c1-2-3-5-8(12)11(16)14-7-4-6-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)/t8-,9-/m0/s1
InChIKeyAXARLGGBMIBEIZ-IUCAKERBSA-N
XLogP-0.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.02
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-aminohexanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide (CID 11615534) is (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide is CCCC[C@H](N)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide?
The InChIKey is AXARLGGBMIBEIZ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-3-5-8(12)11(16)14-7-4-6-9(14)10(13)15/h8-9H,2-7,12H2,1H3,(H2,13,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.02, 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-aminohexanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11615534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).