(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid

C11H19N3O3 — CID 142618300

IUPAC(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)OC1CCC2(CC1)CC2
InChIInChI=1S/C11H19N3O3/c12-9(8(14-13)10(15)16)17-7-1-3-11(4-2-7)5-6-11/h7,14H,1-6,12-13H2,(H,15,16)/b9-8+
InChIKeySPEMTQSEDKNXDH-CMDGGOBGSA-N
MW241.29 g/mol
LogP0.40
Rot. Bonds4

About (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid

(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid (PubChem CID 142618300) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid
PubChem CID142618300
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)OC1CCC2(CC1)CC2
InChIInChI=1S/C11H19N3O3/c12-9(8(14-13)10(15)16)17-7-1-3-11(4-2-7)5-6-11/h7,14H,1-6,12-13H2,(H,15,16)/b9-8+
InChIKeySPEMTQSEDKNXDH-CMDGGOBGSA-N
XLogP0.40
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-amino-3-[4-cyano-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-hydrazinylprop-2-enoic acid
CID 142617885
(E)-3-amino-2-hydrazinyl-3-spiro[4.5]decan-8-ylsulfanylprop-2-enoic acid
CID 142618225
ethyl (E)-3-amino-3-(4-ethyl-4-propylcyclohexyl)oxy-2-hydrazinylprop-2-enoate
CID 155746224
(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;N,N-dimethyl-3-phenoxypropan-1-amine
CID 142618099
(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-phenyl-5-propan-2-yl-1H-pyrazole
CID 142618531
carbamic acid;spiro[2.2]pentane
CID 119097498
(E)-3-amino-3-cyclohexyloxy-2-hydrazinylprop-2-enoic acid;3-[(5-phenylpyrazol-1-yl)methyl]pentan-3-ol
CID 142618045
spiro[4.5]decan-8-yl 2-amino-2-methylpropanoate
CID 162724749
(E)-3-amino-3-[3-(cyclopropylmethoxy)phenoxy]-2-hydrazinylprop-2-enoic acid
CID 142618610
spiro[2.4]heptan-6-yl N-methylcarbamate
CID 118332601
(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid
CID 146299600
cyclohexyl N-aminocarbamate;dihydrochloride
CID 174604488

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid?
The IUPAC name of (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid (CID 142618300) is (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid.
What is the SMILES notation for (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid?
The canonical SMILES for (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid is NN/C(C(=O)O)=C(\N)OC1CCC2(CC1)CC2.
What is the InChIKey of (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid?
The InChIKey is SPEMTQSEDKNXDH-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-9(8(14-13)10(15)16)17-7-1-3-11(4-2-7)5-6-11/h7,14H,1-6,12-13H2,(H,15,16)/b9-8+.
What are the key properties of (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid?
(E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-hydrazinyl-3-spiro[2.5]octan-6-yloxyprop-2-enoic acid is sourced from PubChem (CID 142618300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).