hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate

C8H17N3O2 — CID 66337671

IUPAChydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate
SMILESCN(CCC(=O)ONN)CC1CC1
InChIInChI=1S/C8H17N3O2/c1-11(6-7-2-3-7)5-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3
InChIKeyUQYVRUOTUUURHB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.36
Rot. Bonds6

About hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate

hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate (PubChem CID 66337671) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate
PubChem CID66337671
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Namehydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate
SMILESCN(CCC(=O)ONN)CC1CC1
InChIInChI=1S/C8H17N3O2/c1-11(6-7-2-3-7)5-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3
InChIKeyUQYVRUOTUUURHB-UHFFFAOYSA-N
XLogP-0.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate?
The IUPAC name of hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate (CID 66337671) is hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate?
The canonical SMILES for hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate is CN(CCC(=O)ONN)CC1CC1.
What is the InChIKey of hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate?
The InChIKey is UQYVRUOTUUURHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11(6-7-2-3-7)5-4-8(12)13-10-9/h7,10H,2-6,9H2,1H3.
What are the key properties of hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate?
hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate has a molecular weight of 187.24 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[cyclopropylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 66337671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).