hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate

C11H16ClN3O2 — CID 66337674

IUPAChydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
SMILESCN(CCC(=O)ONN)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c1-15(6-5-11(16)17-14-13)8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyXPLOTSCXVVKTMD-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.08
Rot. Bonds6

About hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate

hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate (PubChem CID 66337674) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
PubChem CID66337674
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Namehydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
SMILESCN(CCC(=O)ONN)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClN3O2/c1-15(6-5-11(16)17-14-13)8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyXPLOTSCXVVKTMD-UHFFFAOYSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.08
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'}

Analyze hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(3-chlorophenyl)methyl-methylamino]-3-oxobutanoate
CID 63898323
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate?
The IUPAC name of hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate (CID 66337674) is hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate.
What is the SMILES notation for hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate?
The canonical SMILES for hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate is CN(CCC(=O)ONN)Cc1cccc(Cl)c1.
What is the InChIKey of hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate?
The InChIKey is XPLOTSCXVVKTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15(6-5-11(16)17-14-13)8-9-3-2-4-10(12)7-9/h2-4,7,14H,5-6,8,13H2,1H3.
What are the key properties of hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate?
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate has a molecular weight of 257.72 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate is sourced from PubChem (CID 66337674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).