hydrazinyl 3-(3-aminobutylsulfanyl)propanoate

C7H17N3O2S — CID 66336784

IUPAChydrazinyl 3-(3-aminobutylsulfanyl)propanoate
SMILESCC(N)CCSCCC(=O)ONN
InChIInChI=1S/C7H17N3O2S/c1-6(8)2-4-13-5-3-7(11)12-10-9/h6,10H,2-5,8-9H2,1H3
InChIKeyAAQHMGUKDHKDSC-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.23
Rot. Bonds7

About hydrazinyl 3-(3-aminobutylsulfanyl)propanoate

hydrazinyl 3-(3-aminobutylsulfanyl)propanoate (PubChem CID 66336784) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is hydrazinyl 3-(3-aminobutylsulfanyl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(3-aminobutylsulfanyl)propanoate
PubChem CID66336784
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC Namehydrazinyl 3-(3-aminobutylsulfanyl)propanoate
SMILESCC(N)CCSCCC(=O)ONN
InChIInChI=1S/C7H17N3O2S/c1-6(8)2-4-13-5-3-7(11)12-10-9/h6,10H,2-5,8-9H2,1H3
InChIKeyAAQHMGUKDHKDSC-UHFFFAOYSA-N
XLogP-0.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-ethylsulfanylpropanoate
CID 66337704
hydrazinyl 3-butan-2-ylsulfanylpropanoate
CID 66337707
3-(3-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165467274
methyl 3-[2-[(3R)-3-bromobutyl]sulfanylethylsulfanyl]propanoate
CID 124652860
methyl 3-[2-[(3S)-3-bromobutyl]sulfanylethylsulfanyl]propanoate
CID 124652859
methyl 3-[2-(3-bromobutylsulfanyl)ethylsulfanyl]propanoate
CID 76684886
9-methyldecyl 3-[3-(9-methyldecoxy)-3-oxopropyl]sulfanylpropanoate
CID 121342282
hydrazinyl butanoate;hydrochloride
CID 87356625
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
CID 66339650
methyl 3-(3-hydrazinyl-3-oxopropyl)sulfanylpropanoate
CID 63580489
ethyl 5-[2-(5-ethoxy-3,5-dioxopentyl)sulfanylethylsulfanyl]-3-oxopentanoate
CID 42626259
hydrazinyl 3-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 103290681

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(3-aminobutylsulfanyl)propanoate?
The IUPAC name of hydrazinyl 3-(3-aminobutylsulfanyl)propanoate (CID 66336784) is hydrazinyl 3-(3-aminobutylsulfanyl)propanoate.
What is the SMILES notation for hydrazinyl 3-(3-aminobutylsulfanyl)propanoate?
The canonical SMILES for hydrazinyl 3-(3-aminobutylsulfanyl)propanoate is CC(N)CCSCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(3-aminobutylsulfanyl)propanoate?
The InChIKey is AAQHMGUKDHKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c1-6(8)2-4-13-5-3-7(11)12-10-9/h6,10H,2-5,8-9H2,1H3.
What are the key properties of hydrazinyl 3-(3-aminobutylsulfanyl)propanoate?
hydrazinyl 3-(3-aminobutylsulfanyl)propanoate has a molecular weight of 207.30 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(3-aminobutylsulfanyl)propanoate is sourced from PubChem (CID 66336784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).