(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid

C10H17N3O5 — CID 88925296

IUPAC(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
SMILESCC(=O)NC/C(=N/NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-6(14)11-5-7(8(15)16)12-13-9(17)18-10(2,3)4/h5H2,1-4H3,(H,11,14)(H,13,17)(H,15,16)/b12-7-
InChIKeyIIZDKJOZBOSRNA-GHXNOFRVSA-N
MW259.26 g/mol
LogP0.09
Rot. Bonds4

About (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid

(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid (PubChem CID 88925296) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
PubChem CID88925296
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid
SMILESCC(=O)NC/C(=N/NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-6(14)11-5-7(8(15)16)12-13-9(17)18-10(2,3)4/h5H2,1-4H3,(H,11,14)(H,13,17)(H,15,16)/b12-7-
InChIKeyIIZDKJOZBOSRNA-GHXNOFRVSA-N
XLogP0.09
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123875399
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
ethyl 3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoate
CID 123532009
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
CID 9074564
tert-butyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 9074489
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
tert-butyl N-[(E)-(4-benzoyl-5-oxohexan-2-ylidene)amino]carbamate
CID 10903705
tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid (CID 88925296) is (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid is CC(=O)NC/C(=N/NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid?
The InChIKey is IIZDKJOZBOSRNA-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(14)11-5-7(8(15)16)12-13-9(17)18-10(2,3)4/h5H2,1-4H3,(H,11,14)(H,13,17)(H,15,16)/b12-7-.
What are the key properties of (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid?
(2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]propanoic acid is sourced from PubChem (CID 88925296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).