hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate

C9H20N4O3 — CID 66338779

IUPAChydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
SMILESCC(C)CN(CCC(=O)ONN)CC(N)=O
InChIInChI=1S/C9H20N4O3/c1-7(2)5-13(6-8(10)14)4-3-9(15)16-12-11/h7,12H,3-6,11H2,1-2H3,(H2,10,14)
InChIKeyPPHNLRPGJBSODV-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.26
Rot. Bonds8

About hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate

hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate (PubChem CID 66338779) has the molecular formula C9H20N4O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
PubChem CID66338779
Molecular FormulaC9H20N4O3
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC Namehydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
SMILESCC(C)CN(CCC(=O)ONN)CC(N)=O
InChIInChI=1S/C9H20N4O3/c1-7(2)5-13(6-8(10)14)4-3-9(15)16-12-11/h7,12H,3-6,11H2,1-2H3,(H2,10,14)
InChIKeyPPHNLRPGJBSODV-UHFFFAOYSA-N
XLogP-1.26
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate (CID 66338779) is hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate is CC(C)CN(CCC(=O)ONN)CC(N)=O.
What is the InChIKey of hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is PPHNLRPGJBSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3/c1-7(2)5-13(6-8(10)14)4-3-9(15)16-12-11/h7,12H,3-6,11H2,1-2H3,(H2,10,14).
What are the key properties of hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate?
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 232.28 g/mol, XLogP of -1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 66338779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).