N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide

C11H21N5O2 — CID 134447800

IUPACN'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H]1C(=O)NCCN1C(=O)CN
InChIInChI=1S/C11H21N5O2/c1-8(13)14-4-2-3-9-11(18)15-5-6-16(9)10(17)7-12/h9H,2-7,12H2,1H3,(H2,13,14)(H,15,18)/t9-/m0/s1
InChIKeyFDTHNMPNJAZXTA-VIFPVBQESA-N
MW255.32 g/mol
LogP-1.57
Rot. Bonds5

About N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide

N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide (PubChem CID 134447800) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide
PubChem CID134447800
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H]1C(=O)NCCN1C(=O)CN
InChIInChI=1S/C11H21N5O2/c1-8(13)14-4-2-3-9-11(18)15-5-6-16(9)10(17)7-12/h9H,2-7,12H2,1H3,(H2,13,14)(H,15,18)/t9-/m0/s1
InChIKeyFDTHNMPNJAZXTA-VIFPVBQESA-N
XLogP-1.57
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide 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 N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide (CID 134447800) is N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide is C/C(N)=N\CCC[C@H]1C(=O)NCCN1C(=O)CN.
What is the InChIKey of N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide?
The InChIKey is FDTHNMPNJAZXTA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N5O2/c1-8(13)14-4-2-3-9-11(18)15-5-6-16(9)10(17)7-12/h9H,2-7,12H2,1H3,(H2,13,14)(H,15,18)/t9-/m0/s1.
What are the key properties of N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide?
N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide has a molecular weight of 255.32 g/mol, XLogP of -1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2S)-1-(2-aminoacetyl)-3-oxopiperazin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 134447800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).