trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid

C7H11NO2 — CID 59319366

IUPACtrans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@]1(NC)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-5-4-7(5,8-2)6(9)10/h3,5,8H,1,4H2,2H3,(H,9,10)/t5-,7-/m1/s1
InChIKeyHHODZWNOSJWRQU-IYSWYEEDSA-N
MW141.17 g/mol
LogP0.24
Rot. Bonds3

About trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid

trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 59319366) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID59319366
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nametrans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@]1(NC)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-5-4-7(5,8-2)6(9)10/h3,5,8H,1,4H2,2H3,(H,9,10)/t5-,7-/m1/s1
InChIKeyHHODZWNOSJWRQU-IYSWYEEDSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid (CID 59319366) is trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid is C=C[C@@H]1C[C@]1(NC)C(=O)O.
What is the InChIKey of trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is HHODZWNOSJWRQU-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-4-7(5,8-2)6(9)10/h3,5,8H,1,4H2,2H3,(H,9,10)/t5-,7-/m1/s1.
What are the key properties of trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59319366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).