2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid

C11H19N3O6 — CID 87358722

IUPAC2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid
SMILESCCN(NC(=O)C(=O)O)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O6/c1-5-14(13-8(16)9(17)18)7(15)6-12-10(19)20-11(2,3)4/h5-6H2,1-4H3,(H,12,19)(H,13,16)(H,17,18)
InChIKeyMBTSFLQIPIEUCL-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.52
Rot. Bonds3

About 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid

2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid (PubChem CID 87358722) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid
PubChem CID87358722
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid
SMILESCCN(NC(=O)C(=O)O)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O6/c1-5-14(13-8(16)9(17)18)7(15)6-12-10(19)20-11(2,3)4/h5-6H2,1-4H3,(H,12,19)(H,13,16)(H,17,18)
InChIKeyMBTSFLQIPIEUCL-UHFFFAOYSA-N
XLogP-0.52
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid (CID 87358722) is 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid is CCN(NC(=O)C(=O)O)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid?
The InChIKey is MBTSFLQIPIEUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-5-14(13-8(16)9(17)18)7(15)6-12-10(19)20-11(2,3)4/h5-6H2,1-4H3,(H,12,19)(H,13,16)(H,17,18).
What are the key properties of 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid?
2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid has a molecular weight of 289.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]hydrazinyl]-2-oxoacetic acid is sourced from PubChem (CID 87358722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).