(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid

C7H13N3O2 — CID 156561221

IUPAC(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid
SMILESCC(C)(C)/N=C/C(=N\N)C(=O)O
InChIInChI=1S/C7H13N3O2/c1-7(2,3)9-4-5(10-8)6(11)12/h4H,8H2,1-3H3,(H,11,12)/b9-4+,10-5+
InChIKeyDLTUTCLWEMPCLI-LUZURFALSA-N
MW171.20 g/mol
LogP0.25
Rot. Bonds2

About (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid

(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid (PubChem CID 156561221) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid.

Molecular Properties

Compound Name(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid
PubChem CID156561221
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid
SMILESCC(C)(C)/N=C/C(=N\N)C(=O)O
InChIInChI=1S/C7H13N3O2/c1-7(2,3)9-4-5(10-8)6(11)12/h4H,8H2,1-3H3,(H,11,12)/b9-4+,10-5+
InChIKeyDLTUTCLWEMPCLI-LUZURFALSA-N
XLogP0.25
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butylimino-3,3-dimethylbutan-2-one
CID 86729170
propan-2-yl 2-tert-butyliminoacetate
CID 101067356
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
(2E)-2-hydrazinylidene-N-methyl-3-methyliminopropanamide
CID 168913138
propyl 3-tert-butylimino-2-methylpropanoate
CID 91113758
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367
N'-tert-butyl-N-ethylmethanediimine;2-methylprop-2-enoic acid
CID 175438196
2,2-dimethylpropanedioic acid;silver
CID 174269885
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2-bromo-2-methylpropanoic acid
CID 159388254

Frequently Asked Questions

What is the IUPAC name of (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid?
The IUPAC name of (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid (CID 156561221) is (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid.
What is the SMILES notation for (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid?
The canonical SMILES for (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid is CC(C)(C)/N=C/C(=N\N)C(=O)O.
What is the InChIKey of (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid?
The InChIKey is DLTUTCLWEMPCLI-LUZURFALSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(2,3)9-4-5(10-8)6(11)12/h4H,8H2,1-3H3,(H,11,12)/b9-4+,10-5+.
What are the key properties of (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid?
(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid is sourced from PubChem (CID 156561221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).