hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate

C9H15N3O3 — CID 66338395

IUPAChydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
SMILESCN(CCC(=O)ONN)Cc1ccco1
InChIInChI=1S/C9H15N3O3/c1-12(5-4-9(13)15-11-10)7-8-3-2-6-14-8/h2-3,6,11H,4-5,7,10H2,1H3
InChIKeyWCAJHQKHXUOGJK-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.02
Rot. Bonds6

About hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate

hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate (PubChem CID 66338395) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
PubChem CID66338395
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namehydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
SMILESCN(CCC(=O)ONN)Cc1ccco1
InChIInChI=1S/C9H15N3O3/c1-12(5-4-9(13)15-11-10)7-8-3-2-6-14-8/h2-3,6,11H,4-5,7,10H2,1H3
InChIKeyWCAJHQKHXUOGJK-UHFFFAOYSA-N
XLogP0.02
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
2-[2-[furan-2-ylmethyl(methyl)amino]ethoxy]ethanamine
CID 79479257
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 139215995

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate?
The IUPAC name of hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate (CID 66338395) is hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate?
The canonical SMILES for hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate is CN(CCC(=O)ONN)Cc1ccco1.
What is the InChIKey of hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate?
The InChIKey is WCAJHQKHXUOGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12(5-4-9(13)15-11-10)7-8-3-2-6-14-8/h2-3,6,11H,4-5,7,10H2,1H3.
What are the key properties of hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate?
hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate has a molecular weight of 213.24 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 66338395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).