methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate

C10H17NO3 — CID 57114948

IUPACmethyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCONC=C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C10H17NO3/c1-5-14-11-6-7-8(9(12)13-4)10(7,2)3/h6,8,11H,5H2,1-4H3
InChIKeyXPAGTLJRXADQAW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate

methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 57114948) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID57114948
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCONC=C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C10H17NO3/c1-5-14-11-6-7-8(9(12)13-4)10(7,2)3/h6,8,11H,5H2,1-4H3
InChIKeyXPAGTLJRXADQAW-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[(propan-2-yloxyamino)methylidene]cyclopropane-1-carboxylic acid
CID 56630284
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
3-O,6-O-diethyl 1-O,4-O-dimethyl 2-hydroxy-3a,5,6a-trimethyl-1,4-dihydropentalene-1,3,4,6-tetracarboxylate
CID 54707719
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
1-O,1-O'-diethyl 2-O,3-O,4-O,5-O,6-O,7-O-hexamethyl cyclohepta-3,5-diene-1,1,2,3,4,5,6,7-octacarboxylate
CID 4200594
(3-phenoxyphenyl)methyl (1S)-3-[(cyclopentyloxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate
CID 57010630
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
methyl (E)-3-(ethoxyamino)prop-2-enoate
CID 103254517
methyl (3S)-4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
CID 97292714
methyl 3-(2,2-difluorocyclopropylidene)-2,2-dimethylcyclopropane-1-carboxylate
CID 67880333
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
CID 102308215

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate (CID 57114948) is methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate is CCONC=C1C(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is XPAGTLJRXADQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-14-11-6-7-8(9(12)13-4)10(7,2)3/h6,8,11H,5H2,1-4H3.
What are the key properties of methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate?
methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 57114948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).