methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate

C10H16N2O3 — CID 129024509

IUPACmethyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate
SMILESCN/C=C(\N)C1CC1C(=O)CC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-12-5-8(11)6-3-7(6)9(13)4-10(14)15-2/h5-7,12H,3-4,11H2,1-2H3/b8-5-
InChIKeyUOHCUPCWBNVKJZ-YVMONPNESA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds5

About methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate

methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate (PubChem CID 129024509) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate
PubChem CID129024509
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate
SMILESCN/C=C(\N)C1CC1C(=O)CC(=O)OC
InChIInChI=1S/C10H16N2O3/c1-12-5-8(11)6-3-7(6)9(13)4-10(14)15-2/h5-7,12H,3-4,11H2,1-2H3/b8-5-
InChIKeyUOHCUPCWBNVKJZ-YVMONPNESA-N
XLogP-0.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate?
The IUPAC name of methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate (CID 129024509) is methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate?
The canonical SMILES for methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate is CN/C=C(\N)C1CC1C(=O)CC(=O)OC.
What is the InChIKey of methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate?
The InChIKey is UOHCUPCWBNVKJZ-YVMONPNESA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-5-8(11)6-3-7(6)9(13)4-10(14)15-2/h5-7,12H,3-4,11H2,1-2H3/b8-5-.
What are the key properties of methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate?
methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate has a molecular weight of 212.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(Z)-1-amino-2-(methylamino)ethenyl]cyclopropyl]-3-oxopropanoate is sourced from PubChem (CID 129024509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).