(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid

C7H11NO2 — CID 70321119

IUPAC(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=CC1C[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-NQPNHJOESA-N
MW141.17 g/mol
LogP0.24
Rot. Bonds3

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

(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 70321119) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID70321119
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESC=CC1C[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-NQPNHJOESA-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 (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid (CID 70321119) is (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid is C=CC1C[C@]1(NC)C(=O)O.
What is the InChIKey of (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is HHODZWNOSJWRQU-NQPNHJOESA-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 (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid?
(1R)-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 (1R)-2-ethenyl-1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70321119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).