(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide

C13H26N4O2 — CID 56707334

IUPAC(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N4O2/c1-16-10-11(14)9-12(16)13(18)15-3-2-4-17-5-7-19-8-6-17/h11-12H,2-10,14H2,1H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyGCGTVLFQKRRTCS-RYUDHWBXSA-N
MW270.38 g/mol
LogP-1.14
Rot. Bonds5

About (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 56707334) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID56707334
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N4O2/c1-16-10-11(14)9-12(16)13(18)15-3-2-4-17-5-7-19-8-6-17/h11-12H,2-10,14H2,1H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyGCGTVLFQKRRTCS-RYUDHWBXSA-N
XLogP-1.14
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide (CID 56707334) is (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide is CN1C[C@@H](N)C[C@H]1C(=O)NCCCN1CCOCC1.
What is the InChIKey of (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is GCGTVLFQKRRTCS-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-16-10-11(14)9-12(16)13(18)15-3-2-4-17-5-7-19-8-6-17/h11-12H,2-10,14H2,1H3,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).