N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide

C10H21N3O — CID 155607751

IUPACN'-[(4S)-4-amino-5-oxoheptyl]propanimidamide
SMILESCCC(=O)[C@@H](N)CCC/N=C(/N)CC
InChIInChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13)/t8-/m0/s1
InChIKeyVYGPWFGUAAVUSX-QMMMGPOBSA-N
MW199.30 g/mol
LogP0.84
Rot. Bonds7

About N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide

N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide (PubChem CID 155607751) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide.

Molecular Properties

Compound NameN'-[(4S)-4-amino-5-oxoheptyl]propanimidamide
PubChem CID155607751
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-[(4S)-4-amino-5-oxoheptyl]propanimidamide
SMILESCCC(=O)[C@@H](N)CCC/N=C(/N)CC
InChIInChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13)/t8-/m0/s1
InChIKeyVYGPWFGUAAVUSX-QMMMGPOBSA-N
XLogP0.84
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide?
The IUPAC name of N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide (CID 155607751) is N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide.
What is the SMILES notation for N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide?
The canonical SMILES for N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide is CCC(=O)[C@@H](N)CCC/N=C(/N)CC.
What is the InChIKey of N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide?
The InChIKey is VYGPWFGUAAVUSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-9(14)8(11)6-5-7-13-10(12)4-2/h8H,3-7,11H2,1-2H3,(H2,12,13)/t8-/m0/s1.
What are the key properties of N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide?
N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide is sourced from PubChem (CID 155607751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).