hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate

C11H18N4O2 — CID 66339679

IUPAChydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
SMILESCN(CCC(=O)ONN)CCc1ccncc1
InChIInChI=1S/C11H18N4O2/c1-15(9-5-11(16)17-14-12)8-4-10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9,12H2,1H3
InChIKeyBSHDUIRXDFAAFS-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.13
Rot. Bonds7

About hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate

hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate (PubChem CID 66339679) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
PubChem CID66339679
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namehydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate
SMILESCN(CCC(=O)ONN)CCc1ccncc1
InChIInChI=1S/C11H18N4O2/c1-15(9-5-11(16)17-14-12)8-4-10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9,12H2,1H3
InChIKeyBSHDUIRXDFAAFS-UHFFFAOYSA-N
XLogP-0.13
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.13
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

N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503
methyl 3-pyridin-4-ylpropanoate
CID 3704115
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N-(3,4-dimethoxyphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026232
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate?
The IUPAC name of hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate (CID 66339679) is hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate?
The canonical SMILES for hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate is CN(CCC(=O)ONN)CCc1ccncc1.
What is the InChIKey of hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate?
The InChIKey is BSHDUIRXDFAAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(9-5-11(16)17-14-12)8-4-10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9,12H2,1H3.
What are the key properties of hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate?
hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[methyl(2-pyridin-4-ylethyl)amino]propanoate is sourced from PubChem (CID 66339679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).