N'-(3-aminopropanoyl)-2-methylpropanehydrazide

C7H15N3O2 — CID 82111348

IUPACN'-(3-aminopropanoyl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCN
InChIInChI=1S/C7H15N3O2/c1-5(2)7(12)10-9-6(11)3-4-8/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyREAWSGJGOGPAEG-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.86
Rot. Bonds3

About N'-(3-aminopropanoyl)-2-methylpropanehydrazide

N'-(3-aminopropanoyl)-2-methylpropanehydrazide (PubChem CID 82111348) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-(3-aminopropanoyl)-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(3-aminopropanoyl)-2-methylpropanehydrazide
PubChem CID82111348
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-(3-aminopropanoyl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCN
InChIInChI=1S/C7H15N3O2/c1-5(2)7(12)10-9-6(11)3-4-8/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyREAWSGJGOGPAEG-UHFFFAOYSA-N
XLogP-0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropanoyl)-2-methylpropanehydrazide?
The IUPAC name of N'-(3-aminopropanoyl)-2-methylpropanehydrazide (CID 82111348) is N'-(3-aminopropanoyl)-2-methylpropanehydrazide.
What is the SMILES notation for N'-(3-aminopropanoyl)-2-methylpropanehydrazide?
The canonical SMILES for N'-(3-aminopropanoyl)-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)CCN.
What is the InChIKey of N'-(3-aminopropanoyl)-2-methylpropanehydrazide?
The InChIKey is REAWSGJGOGPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2)7(12)10-9-6(11)3-4-8/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N'-(3-aminopropanoyl)-2-methylpropanehydrazide?
N'-(3-aminopropanoyl)-2-methylpropanehydrazide has a molecular weight of 173.22 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropanoyl)-2-methylpropanehydrazide is sourced from PubChem (CID 82111348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).